 Entering Gaussian System, Link 0=g16
 Input=22_phenylethanamine_conformer01_STD_M11_augccpVDZ.in
 Output=22_phenylethanamine_conformer01_STD_M11_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_augccpVDZ/Gau-171085.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_augccpVDZ/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    171086.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=22_phenylethanamine_conformer01_STD_M11_augccpVDZ
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 21:04:44 2021, MaxMem=  5368709120 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "22_phenylethanamine_conformer01_STD_M11_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 2.111307000000     -1.069417000000     -0.102024000000
  C                                                 0.734884000000     -1.260349000000     -0.166437000000
  C                                                -0.144890000000     -0.185381000000     -0.068831000000
  C                                                 0.388544000000      1.093690000000      0.095425000000
  C                                                 1.760545000000      1.291465000000      0.161002000000
  C                                                 2.628739000000      0.208429000000      0.062356000000
  C                                                -1.647711000000     -0.410794000000     -0.128779000000
  N                                                -2.350691000000      0.384938000000     -1.140870000000
  C                                                -2.300778000000     -0.170753000000      1.231094000000
  H                                                -1.882449000000      0.311028000000     -2.037050000000
  H                                                -1.804291000000     -1.459889000000     -0.395933000000
  H                                                -1.843351000000     -0.797458000000      1.996908000000
  H                                                -3.367500000000     -0.390246000000      1.178808000000
  H                                                -2.178114000000      0.871199000000      1.538101000000
  H                                                -0.274240000000      1.947756000000      0.170051000000
  H                                                 2.155180000000      2.291537000000      0.289393000000
  H                                                 3.698964000000      0.362116000000      0.110832000000
  H                                                 2.777726000000     -1.918812000000     -0.183587000000
  H                                                 0.336513000000     -2.260101000000     -0.296821000000
  H                                                -2.347436000000      1.366960000000     -0.887454000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     20 NQM=       20 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          14          12           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  14.0030740  12.0000000   1.0078250
 NucSpn=           0           0           0           0           0           0           0           2           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   4.5500000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   7.0000000   6.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Aug 12 21:04:44 2021, MaxMem=  5368709120 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.111307   -1.069417   -0.102024
      2          6           0        0.734884   -1.260349   -0.166437
      3          6           0       -0.144890   -0.185381   -0.068831
      4          6           0        0.388544    1.093690    0.095425
      5          6           0        1.760545    1.291465    0.161002
      6          6           0        2.628739    0.208429    0.062356
      7          6           0       -1.647711   -0.410794   -0.128779
      8          7           0       -2.350691    0.384938   -1.140870
      9          6           0       -2.300778   -0.170753    1.231094
     10          1           0       -1.882449    0.311028   -2.037050
     11          1           0       -1.804291   -1.459889   -0.395933
     12          1           0       -1.843351   -0.797458    1.996908
     13          1           0       -3.367500   -0.390246    1.178808
     14          1           0       -2.178114    0.871199    1.538101
     15          1           0       -0.274240    1.947756    0.170051
     16          1           0        2.155180    2.291537    0.289393
     17          1           0        3.698964    0.362116    0.110832
     18          1           0        2.777726   -1.918812   -0.183587
     19          1           0        0.336513   -2.260101   -0.296821
     20          1           0       -2.347436    1.366960   -0.887454
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.391095   0.000000
     3  C    2.423437   1.392510   0.000000
     4  C    2.772351   2.393747   1.395548   0.000000
     5  C    2.401246   2.769648   2.421689   1.387733   0.000000
     6  C    1.388397   2.407559   2.804517   2.408994   1.391567
     7  C    3.816375   2.529806   1.520814   2.541668   3.820716
     8  N    4.806639   3.630050   2.517953   3.087744   4.406691
     9  C    4.695881   3.515047   2.517513   3.181354   4.447193
    10  H    4.647584   3.580342   2.671969   3.212074   4.366245
    11  H    3.945980   2.557322   2.117777   3.401577   4.537420
    12  H    4.485398   3.397297   2.743481   3.489045   4.552166
    13  H    5.667374   4.404125   3.461761   4.181346   5.491896
    14  H    4.985492   3.991805   2.798677   2.952719   4.193574
    15  H    3.855929   3.379866   2.150365   1.083642   2.138025
    16  H    3.383954   3.852391   3.399084   2.143237   1.082758
    17  H    2.148313   3.390434   3.886804   3.390327   2.150273
    18  H    1.082700   2.146409   3.399947   3.855024   3.385155
    19  H    2.146059   1.084068   2.142006   3.377052   3.853711
    20  H    5.141325   4.113796   2.816224   2.919985   4.240338
                    6          7          8          9         10
     6  C    0.000000
     7  C    4.325274   0.000000
     8  N    5.125781   1.466867   0.000000
     9  C    5.080341   1.527537   2.436698   0.000000
    10  H    4.976831   2.053686   1.013830   3.329846   0.000000
    11  H    4.758684   1.093841   2.063219   2.134382   2.415682
    12  H    4.975328   2.169408   3.391328   1.090170   4.183669
    13  H    6.128602   2.160528   2.648720   1.090324   3.610942
    14  H    5.071777   2.168714   2.728208   1.093144   3.630828
    15  H    3.385874   2.745629   2.910767   3.117812   3.183789
    16  H    2.148288   4.683956   5.097416   5.177377   5.063319
    17  H    1.082290   5.407563   6.177832   6.126650   5.980650
    18  H    2.146588   4.675641   5.703009   5.554119   5.488601
    19  H    3.387765   2.717594   3.863899   3.695295   3.816136
    20  H    5.196792   2.055629   1.014198   2.618202   1.628735
                   11         12         13         14         15
    11  H    0.000000
    12  H    2.483149   0.000000
    13  H    2.463243   1.777115   0.000000
    14  H    3.051918   1.762665   1.770586   0.000000
    15  H    3.778020   3.651810   4.006507   2.579781   0.000000
    16  H    5.497297   5.333456   6.203468   4.728009   2.456524
    17  H    5.819135   5.968178   7.186204   6.069292   4.278330
    18  H    4.609835   5.231285   6.477379   5.942114   4.938614
    19  H    2.287620   3.486018   4.403811   4.415351   4.277505
    20  H    2.920218   3.641202   2.897886   2.481485   2.398704
                   16         17         18         19         20
    16  H    0.000000
    17  H    2.477462   0.000000
    18  H    4.282326   2.477498   0.000000
    19  H    4.936457   4.283489   2.467554   0.000000
    20  H    4.744825   6.210092   6.128541   4.550604   0.000000
 Stoichiometry    C8H11N
 Framework group  C1[X(C8H11N)]
 Deg. of freedom    54
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 3.93D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.111307   -1.069417   -0.102024
      2          6           0        0.734884   -1.260349   -0.166437
      3          6           0       -0.144890   -0.185381   -0.068831
      4          6           0        0.388544    1.093690    0.095425
      5          6           0        1.760545    1.291465    0.161002
      6          6           0        2.628739    0.208429    0.062356
      7          6           0       -1.647711   -0.410794   -0.128779
      8          7           0       -2.350691    0.384938   -1.140870
      9          6           0       -2.300778   -0.170753    1.231094
     10          1           0       -1.882449    0.311028   -2.037050
     11          1           0       -1.804291   -1.459889   -0.395933
     12          1           0       -1.843351   -0.797458    1.996908
     13          1           0       -3.367500   -0.390246    1.178808
     14          1           0       -2.178114    0.871199    1.538101
     15          1           0       -0.274240    1.947756    0.170051
     16          1           0        2.155180    2.291537    0.289393
     17          1           0        3.698964    0.362116    0.110832
     18          1           0        2.777726   -1.918812   -0.183587
     19          1           0        0.336513   -2.260101   -0.296821
     20          1           0       -2.347436    1.366960   -0.887454
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           3.4368554           1.0875586           0.9903475
 Leave Link  202 at Thu Aug 12 21:04:44 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      10     11     12     13     14     15     16     17     18     19
 Centers:      20
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      9
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       8
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients=  7.0000000000D-04
     Exponent=  1.3570000000D+03 Coefficients=  5.3890000000D-03
     Exponent=  3.0930000000D+02 Coefficients=  2.7406000000D-02
     Exponent=  8.7730000000D+01 Coefficients=  1.0320700000D-01
     Exponent=  2.8560000000D+01 Coefficients=  2.7872300000D-01
     Exponent=  1.0210000000D+01 Coefficients=  4.4854000000D-01
     Exponent=  3.8380000000D+00 Coefficients=  2.7823800000D-01
     Exponent=  7.4660000000D-01 Coefficients=  1.5440000000D-02
     Exponent=  2.2480000000D-01 Coefficients= -2.8640000000D-03
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients= -1.5300000000D-04
     Exponent=  1.3570000000D+03 Coefficients= -1.2080000000D-03
     Exponent=  3.0930000000D+02 Coefficients= -5.9920000000D-03
     Exponent=  8.7730000000D+01 Coefficients= -2.4544000000D-02
     Exponent=  2.8560000000D+01 Coefficients= -6.7459000000D-02
     Exponent=  1.0210000000D+01 Coefficients= -1.5807800000D-01
     Exponent=  3.8380000000D+00 Coefficients= -1.2183100000D-01
     Exponent=  7.4660000000D-01 Coefficients=  5.4900300000D-01
     Exponent=  2.2480000000D-01 Coefficients=  5.7881500000D-01
 S 1 1.00
     Exponent=  2.2480000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.1240000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.3550000000D+01 Coefficients=  3.9919000000D-02
     Exponent=  2.9170000000D+00 Coefficients=  2.1716900000D-01
     Exponent=  7.9730000000D-01 Coefficients=  5.1031900000D-01
     Exponent=  2.1850000000D-01 Coefficients=  4.6221400000D-01
 P 1 1.00
     Exponent=  2.1850000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  5.6110000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.1700000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  2.3000000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  27 primitive shells out of 340 were deleted.
 There are   324 symmetry adapted cartesian basis functions of A   symmetry.
 There are   306 symmetry adapted basis functions of A   symmetry.
   306 basis functions,   555 primitive gaussians,   324 cartesian basis functions
    33 alpha electrons       33 beta electrons
       nuclear repulsion energy       425.1332285289 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   20 NActive=   20 NUniq=   20 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Thu Aug 12 21:04:46 2021, MaxMem=  5368709120 cpu:              11.1 elap:               1.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   306 RedAO= T EigKep=  1.77D-06  NBF=   306
 NBsUse=   306 1.00D-06 EigRej= -1.00D+00 NBFU=   306
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   324   324   324   324   324 MxSgAt=    20 MxSgA2=    20.
 Leave Link  302 at Thu Aug 12 21:04:46 2021, MaxMem=  5368709120 cpu:               2.7 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 21:04:46 2021, MaxMem=  5368709120 cpu:               0.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "22_phenylethanamine_conformer01_STD_M11_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000   -0.000000
         Rot=    1.000000   -0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 21:04:47 2021, MaxMem=  5368709120 cpu:               2.3 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368493398 LenY=  5368387981
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -366.016716434850    
 DIIS: error= 3.62D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -366.016716434850     IErMin= 1 ErrMin= 3.62D-03
 ErrMax= 3.62D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.05D-02 BMatP= 1.05D-02
 IDIUse=3 WtCom= 9.64D-01 WtEn= 3.62D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.396 Goal=   None    Shift=    0.000
 GapD=    0.396 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=7.95D-02 MaxDP=4.57D+00              OVMax= 1.85D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  6.10D-02    CP:  1.99D+00
 E= -366.027044801250     Delta-E=       -0.010328366400 Rises=F Damp=F
 DIIS: error= 5.64D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -366.027044801250     IErMin= 2 ErrMin= 5.64D-04
 ErrMax= 5.64D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.94D-04 BMatP= 1.05D-02
 IDIUse=3 WtCom= 9.94D-01 WtEn= 5.64D-03
 Coeff-Com: -0.675D-01 0.107D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.671D-01 0.107D+01
 Gap=     0.324 Goal=   None    Shift=    0.000
 RMSDP=1.69D-02 MaxDP=1.03D+00 DE=-1.03D-02 OVMax= 6.72D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  2.98D-03    CP:  2.21D+00  1.20D+00
 E= -366.027371211695     Delta-E=       -0.000326410445 Rises=F Damp=F
 DIIS: error= 2.25D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -366.027371211695     IErMin= 3 ErrMin= 2.25D-04
 ErrMax= 2.25D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.74D-05 BMatP= 1.94D-04
 IDIUse=3 WtCom= 9.98D-01 WtEn= 2.25D-03
 Coeff-Com: -0.290D-01 0.277D+00 0.752D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.290D-01 0.276D+00 0.753D+00
 Gap=     0.324 Goal=   None    Shift=    0.000
 RMSDP=1.28D-03 MaxDP=7.25D-02 DE=-3.26D-04 OVMax= 1.87D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  2.44D-04    CP:  2.23D+00  1.22D+00  1.09D+00
 E= -366.027409905621     Delta-E=       -0.000038693926 Rises=F Damp=F
 DIIS: error= 8.67D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -366.027409905621     IErMin= 4 ErrMin= 8.67D-05
 ErrMax= 8.67D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.10D-06 BMatP= 3.74D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.932D-03-0.719D-01 0.222D+00 0.849D+00
 Coeff:      0.932D-03-0.719D-01 0.222D+00 0.849D+00
 Gap=     0.324 Goal=   None    Shift=    0.000
 RMSDP=3.68D-04 MaxDP=2.43D-02 DE=-3.87D-05 OVMax= 1.14D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.51D-04    CP:  2.23D+00  1.22D+00  1.15D+00  1.37D+00
 E= -366.027417895028     Delta-E=       -0.000007989407 Rises=F Damp=F
 DIIS: error= 2.19D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -366.027417895028     IErMin= 5 ErrMin= 2.19D-05
 ErrMax= 2.19D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.25D-07 BMatP= 6.10D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.272D-02-0.439D-01 0.103D-02 0.246D+00 0.794D+00
 Coeff:      0.272D-02-0.439D-01 0.103D-02 0.246D+00 0.794D+00
 Gap=     0.324 Goal=   None    Shift=    0.000
 RMSDP=6.20D-05 MaxDP=3.41D-03 DE=-7.99D-06 OVMax= 4.14D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.11D-05    CP:  2.23D+00  1.22D+00  1.16D+00  1.45D+00  1.26D+00
 E= -366.027418674849     Delta-E=       -0.000000779821 Rises=F Damp=F
 DIIS: error= 7.75D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -366.027418674849     IErMin= 6 ErrMin= 7.75D-06
 ErrMax= 7.75D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.64D-08 BMatP= 5.25D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.424D-03 0.305D-03-0.267D-01-0.522D-01 0.177D+00 0.901D+00
 Coeff:      0.424D-03 0.305D-03-0.267D-01-0.522D-01 0.177D+00 0.901D+00
 Gap=     0.324 Goal=   None    Shift=    0.000
 RMSDP=2.89D-05 MaxDP=1.50D-03 DE=-7.80D-07 OVMax= 2.00D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.33D-05    CP:  2.23D+00  1.22D+00  1.16D+00  1.48D+00  1.32D+00
                    CP:  1.29D+00
 E= -366.027418796652     Delta-E=       -0.000000121803 Rises=F Damp=F
 DIIS: error= 2.30D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -366.027418796652     IErMin= 7 ErrMin= 2.30D-06
 ErrMax= 2.30D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.48D-09 BMatP= 5.64D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.202D-03 0.479D-02-0.483D-02-0.389D-01-0.623D-01 0.147D+00
 Coeff-Com:  0.955D+00
 Coeff:     -0.202D-03 0.479D-02-0.483D-02-0.389D-01-0.623D-01 0.147D+00
 Coeff:      0.955D+00
 Gap=     0.324 Goal=   None    Shift=    0.000
 RMSDP=1.23D-05 MaxDP=6.82D-04 DE=-1.22D-07 OVMax= 7.83D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  3.87D-06    CP:  2.23D+00  1.22D+00  1.16D+00  1.49D+00  1.35D+00
                    CP:  1.40D+00  1.18D+00
 E= -366.027418811343     Delta-E=       -0.000000014692 Rises=F Damp=F
 DIIS: error= 1.21D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -366.027418811343     IErMin= 8 ErrMin= 1.21D-06
 ErrMax= 1.21D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.33D-09 BMatP= 5.48D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.125D-03 0.195D-02 0.487D-03-0.112D-01-0.417D-01-0.277D-01
 Coeff-Com:  0.396D+00 0.682D+00
 Coeff:     -0.125D-03 0.195D-02 0.487D-03-0.112D-01-0.417D-01-0.277D-01
 Coeff:      0.396D+00 0.682D+00
 Gap=     0.324 Goal=   None    Shift=    0.000
 RMSDP=1.85D-06 MaxDP=1.29D-04 DE=-1.47D-08 OVMax= 2.13D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.03D-06    CP:  2.23D+00  1.22D+00  1.16D+00  1.49D+00  1.35D+00
                    CP:  1.40D+00  1.26D+00  1.04D+00
 E= -366.027418813398     Delta-E=       -0.000000002055 Rises=F Damp=F
 DIIS: error= 3.67D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -366.027418813398     IErMin= 9 ErrMin= 3.67D-07
 ErrMax= 3.67D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.57D-11 BMatP= 1.33D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.142D-04-0.501D-03 0.106D-02 0.529D-02 0.281D-02-0.361D-01
 Coeff-Com: -0.903D-01 0.131D+00 0.987D+00
 Coeff:      0.142D-04-0.501D-03 0.106D-02 0.529D-02 0.281D-02-0.361D-01
 Coeff:     -0.903D-01 0.131D+00 0.987D+00
 Gap=     0.324 Goal=   None    Shift=    0.000
 RMSDP=2.75D-06 MaxDP=1.76D-04 DE=-2.06D-09 OVMax= 1.05D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  4.31D-07    CP:  2.23D+00  1.22D+00  1.16D+00  1.49D+00  1.35D+00
                    CP:  1.41D+00  1.29D+00  1.09D+00  1.22D+00
 E= -366.027418813659     Delta-E=       -0.000000000261 Rises=F Damp=F
 DIIS: error= 8.62D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -366.027418813659     IErMin=10 ErrMin= 8.62D-08
 ErrMax= 8.62D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.07D-12 BMatP= 9.57D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.101D-04-0.220D-03 0.213D-03 0.183D-02 0.290D-02-0.609D-02
 Coeff-Com: -0.418D-01-0.155D-01 0.220D+00 0.838D+00
 Coeff:      0.101D-04-0.220D-03 0.213D-03 0.183D-02 0.290D-02-0.609D-02
 Coeff:     -0.418D-01-0.155D-01 0.220D+00 0.838D+00
 Gap=     0.324 Goal=   None    Shift=    0.000
 RMSDP=2.14D-07 MaxDP=1.44D-05 DE=-2.61D-10 OVMax= 2.04D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.35D-07    CP:  2.23D+00  1.22D+00  1.16D+00  1.49D+00  1.35D+00
                    CP:  1.41D+00  1.29D+00  1.08D+00  1.24D+00  1.11D+00
 E= -366.027418813676     Delta-E=       -0.000000000016 Rises=F Damp=F
 DIIS: error= 2.48D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -366.027418813676     IErMin=11 ErrMin= 2.48D-08
 ErrMax= 2.48D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.72D-13 BMatP= 6.07D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.702D-06 0.862D-05-0.850D-04-0.221D-03 0.263D-03 0.341D-02
 Coeff-Com:  0.159D-02-0.224D-01-0.707D-01 0.185D+00 0.904D+00
 Coeff:      0.702D-06 0.862D-05-0.850D-04-0.221D-03 0.263D-03 0.341D-02
 Coeff:      0.159D-02-0.224D-01-0.707D-01 0.185D+00 0.904D+00
 Gap=     0.324 Goal=   None    Shift=    0.000
 RMSDP=1.30D-07 MaxDP=6.81D-06 DE=-1.64D-11 OVMax= 7.93D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  4.46D-08    CP:  2.23D+00  1.22D+00  1.16D+00  1.49D+00  1.35D+00
                    CP:  1.41D+00  1.29D+00  1.08D+00  1.25D+00  1.18D+00
                    CP:  1.28D+00
 E= -366.027418813658     Delta-E=        0.000000000018 Rises=F Damp=F
 DIIS: error= 8.00D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -366.027418813676     IErMin=12 ErrMin= 8.00D-09
 ErrMax= 8.00D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.74D-14 BMatP= 7.72D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.879D-06 0.236D-04-0.388D-04-0.221D-03-0.260D-03 0.134D-02
 Coeff-Com:  0.432D-02-0.353D-02-0.354D-01-0.452D-01 0.197D+00 0.882D+00
 Coeff:     -0.879D-06 0.236D-04-0.388D-04-0.221D-03-0.260D-03 0.134D-02
 Coeff:      0.432D-02-0.353D-02-0.354D-01-0.452D-01 0.197D+00 0.882D+00
 Gap=     0.324 Goal=   None    Shift=    0.000
 RMSDP=6.45D-08 MaxDP=3.77D-06 DE= 1.75D-11 OVMax= 2.39D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  1.12D-08    CP:  2.23D+00  1.22D+00  1.16D+00  1.49D+00  1.35D+00
                    CP:  1.41D+00  1.29D+00  1.08D+00  1.25D+00  1.19D+00
                    CP:  1.37D+00  1.10D+00
 E= -366.027418813669     Delta-E=       -0.000000000011 Rises=F Damp=F
 DIIS: error= 2.54D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=11 EnMin= -366.027418813676     IErMin=13 ErrMin= 2.54D-09
 ErrMax= 2.54D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.16D-15 BMatP= 6.74D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.154D-06 0.221D-05 0.104D-05-0.935D-05-0.550D-04-0.883D-04
 Coeff-Com:  0.409D-03 0.117D-02 0.135D-02-0.186D-01-0.460D-01 0.104D+00
 Coeff-Com:  0.958D+00
 Coeff:     -0.154D-06 0.221D-05 0.104D-05-0.935D-05-0.550D-04-0.883D-04
 Coeff:      0.409D-03 0.117D-02 0.135D-02-0.186D-01-0.460D-01 0.104D+00
 Coeff:      0.958D+00
 Gap=     0.324 Goal=   None    Shift=    0.000
 RMSDP=1.26D-08 MaxDP=7.29D-07 DE=-1.08D-11 OVMax= 6.31D-08

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  3.20D-09    CP:  2.23D+00  1.22D+00  1.16D+00  1.49D+00  1.35D+00
                    CP:  1.41D+00  1.29D+00  1.08D+00  1.25D+00  1.19D+00
                    CP:  1.38D+00  1.15D+00  1.14D+00
 E= -366.027418813653     Delta-E=        0.000000000016 Rises=F Damp=F
 DIIS: error= 7.49D-10 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=11 EnMin= -366.027418813676     IErMin=14 ErrMin= 7.49D-10
 ErrMax= 7.49D-10  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.10D-16 BMatP= 4.16D-15
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.416D-07-0.166D-05 0.386D-05 0.190D-04 0.843D-05-0.154D-03
 Coeff-Com: -0.303D-03 0.661D-03 0.387D-02-0.122D-02-0.328D-01-0.522D-01
 Coeff-Com:  0.281D+00 0.801D+00
 Coeff:      0.416D-07-0.166D-05 0.386D-05 0.190D-04 0.843D-05-0.154D-03
 Coeff:     -0.303D-03 0.661D-03 0.387D-02-0.122D-02-0.328D-01-0.522D-01
 Coeff:      0.281D+00 0.801D+00
 Gap=     0.324 Goal=   None    Shift=    0.000
 RMSDP=1.89D-09 MaxDP=1.36D-07 DE= 1.60D-11 OVMax= 1.74D-08

 SCF Done:  E(RM11) =  -366.027418814     A.U. after   14 cycles
            NFock= 14  Conv=0.19D-08     -V/T= 2.0065
 KE= 3.636642855879D+02 PE=-1.698978716953D+03 EE= 5.441537840223D+02
 Leave Link  502 at Thu Aug 12 21:08:14 2021, MaxMem=  5368709120 cpu:            1649.1 elap:             206.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   306
 NBasis=   306 NAE=    33 NBE=    33 NFC=     0 NFV=     0
 NROrb=    306 NOA=    33 NOB=    33 NVA=   273 NVB=   273

 **** Warning!!: The largest alpha MO coefficient is  0.12739536D+03

 Leave Link  801 at Thu Aug 12 21:08:14 2021, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         6185 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          20
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.50D-13 8.33D-09 XBig12= 1.00D+00 3.69D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.50D-13 8.33D-09 XBig12= 1.82D-01 6.89D-02.
     11 vectors produced by pass  2 Test12= 1.50D-13 8.33D-09 XBig12= 2.80D-02 4.60D-02.
     11 vectors produced by pass  3 Test12= 1.50D-13 8.33D-09 XBig12= 2.93D-03 1.14D-02.
     11 vectors produced by pass  4 Test12= 1.50D-13 8.33D-09 XBig12= 4.20D-04 3.87D-03.
     11 vectors produced by pass  5 Test12= 1.50D-13 8.33D-09 XBig12= 2.26D-05 6.45D-04.
     11 vectors produced by pass  6 Test12= 1.50D-13 8.33D-09 XBig12= 8.67D-07 1.40D-04.
     11 vectors produced by pass  7 Test12= 1.50D-13 8.33D-09 XBig12= 2.22D-08 2.56D-05.
     11 vectors produced by pass  8 Test12= 1.50D-13 8.33D-09 XBig12= 4.71D-10 5.02D-06.
     10 vectors produced by pass  9 Test12= 1.50D-13 8.33D-09 XBig12= 1.13D-11 6.79D-07.
      7 vectors produced by pass 10 Test12= 1.50D-13 8.33D-09 XBig12= 2.96D-13 7.20D-08.
      2 vectors produced by pass 11 Test12= 1.50D-13 8.33D-09 XBig12= 8.98D-15 9.64D-09.
      1 vectors produced by pass 12 Test12= 1.50D-13 8.33D-09 XBig12= 5.43D-15 1.05D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.31D-14
 Solved reduced A of dimension   119 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.136523D+03
      2 -0.221654D+00  0.108988D+03
      3  0.890102D+00  0.259631D+01  0.791126D+02
 Isotropic polarizability for W=    0.085645      108.21 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.666287D+02  0.102477D+01 -0.105659D+01
      2  -0.126493D+02 -0.106267D+00 -0.533982D+01
      3  -0.539794D+02 -0.918501D+00  0.639642D+01
      4   0.208960D+01  0.743924D+02  0.177324D+02
      5   0.111839D+02  0.177664D+02 -0.433878D+02
      6   0.676422D+01  0.777755D+01 -0.697511D+00
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.701155D+00  0.305520D+01  0.168606D+01
      2   0.353910D+00  0.784534D+01 -0.169337D+02
      3  -0.468689D+01 -0.354537D+02 -0.765139D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.340545D-01  0.131174D+02 -0.220990D+00
      2  -0.122405D+02  0.109682D+02  0.105916D+02
      3   0.106483D+01 -0.870417D+02 -0.110022D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.105487D+00 -0.742669D+00  0.855689D+00
      2  -0.742669D+00 -0.143424D+01  0.354059D+01
      3   0.855689D+00  0.354059D+01  0.821541D+00
 OR G Eigenvalues:    -4.2997     0.3628     3.4297  Iso=     0.1691
 Eigenvectors:
   (1)   0.243627   0.778258  -0.578758
   (2)   0.966593  -0.243841   0.078991
   (3)   0.079649   0.578667   0.811665
 w=    0.085645 a.u., Optical Rotation Beta=      0.1691 au.
 Molar Mass =    121.1816 grams/mole, [Alpha] ( 5320.0 A) =       66.17 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   46971 ScalPx= 3.07D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   46971 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 3.72D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.50D-14 2.78D-09 XBig12= 1.00D+00 5.72D-01.
     30 vectors produced by pass  1 Test12= 2.50D-14 2.78D-09 XBig12= 5.31D-02 4.27D-02.
     30 vectors produced by pass  2 Test12= 2.50D-14 2.78D-09 XBig12= 1.76D-03 6.25D-03.
     30 vectors produced by pass  3 Test12= 2.50D-14 2.78D-09 XBig12= 3.11D-05 9.80D-04.
     30 vectors produced by pass  4 Test12= 2.50D-14 2.78D-09 XBig12= 3.99D-07 1.43D-04.
     30 vectors produced by pass  5 Test12= 2.50D-14 2.78D-09 XBig12= 5.39D-09 1.04D-05.
     30 vectors produced by pass  6 Test12= 2.50D-14 2.78D-09 XBig12= 6.31D-11 1.04D-06.
     30 vectors produced by pass  7 Test12= 2.50D-14 2.78D-09 XBig12= 6.03D-13 8.17D-08.
     16 vectors produced by pass  8 Test12= 2.50D-14 2.78D-09 XBig12= 6.44D-15 1.19D-08.
      2 vectors produced by pass  9 Test12= 2.50D-14 2.78D-09 XBig12= 4.63D-16 4.12D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.33D-15
 Solved reduced A of dimension   258 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   46971 ScalPx= 7.84D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   46971 ScalPx= 7.84D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   46971 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 6.68D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.136523D+03 -0.221654D+00  0.890102D+00
      2  -0.221654D+00  0.108988D+03  0.259631D+01
      3   0.890102D+00  0.259631D+01  0.791126D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.701155D+00  0.305520D+01  0.168606D+01
      2   0.353910D+00  0.784534D+01 -0.169337D+02
      3  -0.468689D+01 -0.354537D+02 -0.765139D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.666287D+02  0.102477D+01 -0.105659D+01
      2  -0.126493D+02 -0.106267D+00 -0.533982D+01
      3  -0.539794D+02 -0.918501D+00  0.639642D+01
      4   0.208960D+01  0.743924D+02  0.177324D+02
      5   0.111839D+02  0.177664D+02 -0.433878D+02
      6   0.676422D+01  0.777755D+01 -0.697511D+00
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    60 ND12= 1 LenFil=    2163:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.252013D+01 -0.714548D+00 -0.272886D+00 -0.558116D+01 -0.108962D+01
      2  -0.714548D+00  0.311947D+01  0.325843D+00 -0.108962D+01 -0.499388D+00
      3  -0.272886D+00  0.325843D+00  0.189205D+01 -0.528086D+00  0.717541D+00
                 6             7             8             9            10 
      1  -0.528086D+00 -0.995680D+00 -0.435949D+00  0.295803D+01  0.555856D+01
      2   0.717541D+00 -0.435949D+00  0.106230D+01 -0.347254D+01  0.252038D+01
      3  -0.235645D+01  0.295803D+01 -0.347254D+01 -0.873111D+00  0.711757D+00
                11            12            13            14            15 
      1   0.252038D+01  0.711757D+00 -0.696139D+01 -0.195425D+00 -0.199349D-01
      2  -0.245946D+01  0.350433D-01 -0.195425D+00 -0.140738D+01  0.588335D+00
      3   0.350433D-01 -0.133458D+01 -0.199349D-01  0.588335D+00 -0.256916D+01
                16            17            18            19            20 
      1  -0.728775D+00  0.598431D+00 -0.131876D+01 -0.167571D+02 -0.128322D+01
      2   0.598431D+00  0.749244D+00 -0.383693D+01 -0.128322D+01 -0.210207D+01
      3  -0.131876D+01 -0.383693D+01 -0.148050D+01 -0.958384D-01  0.620914D-02
                21            22            23            24            25 
      1  -0.958384D-01 -0.234130D+01  0.181908D+01  0.759575D+00 -0.144579D+00
      2   0.620914D-02  0.181908D+01 -0.662377D+00 -0.644729D-01  0.538480D+00
      3  -0.250994D+01  0.759575D+00 -0.644729D-01  0.266269D+00 -0.378540D+01
                26            27            28            29            30 
      1   0.538480D+00 -0.378540D+01  0.407627D+01 -0.908724D+00  0.389668D+00
      2  -0.397875D+00 -0.425084D+00 -0.908724D+00 -0.342022D+01 -0.278440D+00
      3  -0.425084D+00 -0.164465D-01  0.389668D+00 -0.278440D+00 -0.189252D+01
                31            32            33            34            35 
      1   0.799566D+01 -0.966758D-01  0.382971D+00  0.123466D+01  0.127250D+00
      2  -0.966758D-01  0.830742D+00 -0.514372D+00  0.127250D+00 -0.832824D+00
      3   0.382971D+00 -0.514372D+00  0.182944D+01 -0.175835D+01  0.307347D+01
                36            37            38            39            40 
      1  -0.175835D+01 -0.448962D+01 -0.537189D+00 -0.337164D+00  0.547303D+01
      2   0.307347D+01 -0.537189D+00  0.196575D+01 -0.838336D-01 -0.279469D-01
      3   0.662146D+00 -0.337164D+00 -0.838336D-01  0.927310D+00 -0.119275D+00
                41            42            43            44            45 
      1  -0.279469D-01 -0.119275D+00  0.361483D+00 -0.436598D+00  0.199665D+01
      2   0.106287D+01 -0.683493D+00 -0.436598D+00 -0.775303D+00  0.399870D+01
      3  -0.683493D+00  0.275807D+01  0.199665D+01  0.399870D+01  0.135195D+01
                46            47            48            49            50 
      1   0.600990D+01  0.209802D+00 -0.983643D-01  0.620348D+00 -0.421734D+00
      2   0.209802D+00  0.324812D+01 -0.292923D-01 -0.421734D+00 -0.144152D+00
      3  -0.983643D-01 -0.292923D-01  0.344481D+01 -0.810084D+00 -0.242253D+00
                51            52            53            54            55 
      1  -0.810084D+00 -0.142115D+00 -0.675527D+00  0.545121D+01  0.228521D+01
      2  -0.242253D+00 -0.675527D+00 -0.255299D-01  0.666258D+00 -0.135530D+00
      3   0.399459D+00  0.545121D+01  0.666258D+00  0.647619D+00 -0.120241D+01
                56            57            58            59            60 
      1  -0.135530D+00 -0.120241D+01 -0.393228D+01  0.128654D+01 -0.131066D+01
      2  -0.265241D+00 -0.784792D+00  0.128654D+01  0.659053D+01  0.231912D+01
      3  -0.784792D+00  0.329828D+01 -0.131066D+01  0.231912D+01 -0.142778D+01
                61            62            63            64            65 
      1  -0.114845D+01 -0.767505D+00  0.617199D+01 -0.301551D+01  0.137443D+01
      2  -0.767505D+00  0.150452D+01 -0.250272D+00  0.137443D+01  0.665797D-01
      3   0.617199D+01 -0.250272D+00 -0.196811D+01 -0.940211D+00  0.102032D+01
                66            67            68            69            70 
      1  -0.940211D+00  0.389408D+01 -0.143042D+01  0.754488D+00 -0.225358D+01
      2   0.102032D+01 -0.143042D+01 -0.471271D+01 -0.149614D+01  0.576772D+00
      3  -0.455400D+01  0.754488D+00 -0.149614D+01  0.502031D+00 -0.534189D+01
                71            72            73            74            75 
      1   0.576772D+00 -0.534189D+01  0.858902D+01  0.217239D+01 -0.385149D+00
      2  -0.675561D+00  0.237901D+00  0.217239D+01 -0.978033D+00  0.743133D+00
      3   0.237901D+00  0.202105D+01 -0.385149D+00  0.743133D+00 -0.384555D+01
                76            77            78            79            80 
      1   0.344667D+01 -0.748167D+00  0.539637D+00  0.435195D+01  0.890702D+00
      2  -0.748167D+00 -0.384144D+01 -0.348245D+01  0.890702D+00 -0.273658D+01
      3   0.539637D+00 -0.348245D+01  0.213086D+01 -0.481620D+01  0.140472D+01
                81            82            83            84            85 
      1  -0.481620D+01 -0.228674D+00 -0.150934D+00 -0.815895D+00 -0.914714D+00
      2   0.140472D+01 -0.150934D+00  0.217502D+00 -0.199478D+00 -0.316043D-01
      3   0.930286D+00 -0.815895D+00 -0.199478D+00  0.294130D+01  0.784613D-01
                86            87            88            89            90 
      1  -0.316043D-01  0.784613D-01 -0.168105D+01  0.558272D-01  0.123284D+01
      2   0.105884D+00 -0.811310D+00  0.558272D-01 -0.109783D+01  0.586924D+00
      3  -0.811310D+00 -0.394396D+00  0.123284D+01  0.586924D+00 -0.773710D+01
                91            92            93            94            95 
      1  -0.123185D-01 -0.139789D+01 -0.262586D+00 -0.214981D+01 -0.158197D+01
      2  -0.139789D+01 -0.102417D+01 -0.207214D+00 -0.158197D+01 -0.733112D+01
      3  -0.262586D+00 -0.207214D+00 -0.687858D+00 -0.158968D+00 -0.130982D+01
                96            97            98            99           100 
      1  -0.158968D+00 -0.212819D+00 -0.195801D+00 -0.986739D+00  0.360050D+00
      2  -0.130982D+01 -0.195801D+00 -0.133482D+01 -0.122604D+01 -0.867732D+00
      3  -0.150454D+01 -0.986739D+00 -0.122604D+01 -0.853555D+00  0.879737D+00
               101           102           103           104           105 
      1  -0.867732D+00  0.879737D+00 -0.127081D+01  0.263231D+00 -0.971305D-01
      2   0.873896D+00 -0.777424D+00  0.263231D+00 -0.205252D+01  0.235579D+01
      3  -0.777424D+00  0.226368D+01 -0.971305D-01  0.235579D+01 -0.295746D+01
               106           107           108           109           110 
      1   0.688693D+00 -0.323031D+00  0.627404D+00 -0.133135D+02 -0.168320D+01
      2  -0.323031D+00  0.198129D+01 -0.224691D+01 -0.168320D+01 -0.116225D+01
      3   0.627404D+00 -0.224691D+01  0.536149D+01  0.203564D+01  0.209787D+00
               111           112           113           114           115 
      1   0.203564D+01 -0.238456D+01 -0.155539D+01  0.420918D+00 -0.520840D+00
      2   0.209787D+00 -0.155539D+01 -0.432200D+00  0.565978D+00 -0.186097D-01
      3  -0.153181D+01  0.420918D+00  0.565978D+00 -0.666667D+00 -0.805003D+00
               116           117           118           119           120 
      1  -0.186097D-01 -0.805003D+00 -0.754002D+00  0.675805D+00  0.330470D+00
      2   0.926349D-01 -0.380905D+00  0.675805D+00  0.184721D+00 -0.216022D-01
      3  -0.380905D+00  0.498766D-01  0.330470D+00 -0.216022D-01  0.642185D+00
               121           122           123           124           125 
      1   0.172003D+01 -0.542954D+00 -0.759958D+00  0.361732D+00 -0.241492D+00
      2  -0.542954D+00  0.558760D+01  0.223902D+01 -0.241492D+00  0.158492D+01
      3  -0.759958D+00  0.223902D+01  0.238261D+01  0.811976D-01  0.118562D+01
               126           127           128           129           130 
      1   0.811976D-01 -0.370260D+01  0.243331D+01  0.340305D-01  0.276572D+01
      2   0.118562D+01  0.243331D+01 -0.251967D+01 -0.156523D+00 -0.292854D+01
      3   0.172555D+01  0.340305D-01 -0.156523D+00 -0.381639D+00 -0.299664D+00
               131           132           133           134           135 
      1  -0.292854D+01 -0.299664D+00  0.325262D-01 -0.362771D+00  0.261474D-01
      2   0.586629D+01  0.445215D+00 -0.362771D+00  0.550559D+00  0.163760D+00
      3   0.445215D+00  0.745487D+00  0.261474D-01  0.163760D+00  0.993373D-01
               136           137           138           139           140 
      1   0.225772D+01  0.266075D+01  0.350656D+00  0.231046D+01  0.392428D+01
      2   0.266075D+01  0.287636D+01  0.369575D+00  0.392428D+01  0.979728D+01
      3   0.350656D+00  0.369575D+00  0.358178D+00  0.486738D+00  0.111360D+01
               141           142           143           144           145 
      1   0.486738D+00  0.471992D+00  0.549186D+00  0.143350D+00  0.132833D+02
      2   0.111360D+01  0.549186D+00  0.124611D+01  0.208305D+00  0.145832D+01
      3   0.927959D+00  0.143350D+00  0.208305D+00  0.196454D+00  0.509629D+00
               146           147           148           149           150 
      1   0.145832D+01  0.509629D+00  0.134942D+01  0.172946D+01  0.260602D+00
      2   0.906540D+00  0.583687D-01  0.172946D+01  0.528298D+00  0.864429D-01
      3   0.583687D-01  0.851338D+00  0.260602D+00  0.864429D-01  0.134310D+00
               151           152           153           154           155 
      1   0.505105D+00  0.254908D+00 -0.727286D-01  0.516271D+01 -0.404025D+01
      2   0.254908D+00  0.399807D-01  0.116996D-01 -0.404025D+01  0.367428D+01
      3  -0.727286D-01  0.116996D-01 -0.173415D-01 -0.333064D+00  0.246663D+00
               156           157           158           159           160 
      1  -0.333064D+00 -0.388275D+01  0.458425D+01  0.472059D+00 -0.367559D+00
      2   0.246663D+00  0.458425D+01 -0.669466D+01 -0.613829D+00  0.456932D+00
      3   0.563328D+00  0.472059D+00 -0.613829D+00 -0.768023D+00  0.153885D+00
               161           162           163           164           165 
      1   0.456932D+00  0.153885D+00 -0.151067D+01 -0.180655D+01 -0.254459D+00
      2  -0.802311D+00 -0.989087D-01 -0.180655D+01 -0.221402D+01 -0.296106D+00
      3  -0.989087D-01 -0.964105D-01 -0.254459D+00 -0.296106D+00 -0.229045D+00
               166           167           168           169           170 
      1  -0.159416D+01 -0.198775D+01 -0.261408D+00 -0.120752D+00 -0.364466D+00
      2  -0.198775D+01 -0.895219D+01 -0.101187D+01 -0.364466D+00 -0.117729D+01
      3  -0.261408D+00 -0.101187D+01 -0.901834D+00  0.765241D-01 -0.249758D+00
               171           172           173           174           175 
      1   0.765241D-01 -0.127858D+01  0.205810D-01 -0.243560D+00  0.143752D+01
      2  -0.249758D+00  0.205810D-01 -0.988098D+00 -0.180238D+00 -0.968647D+00
      3  -0.131611D+00 -0.243560D+00 -0.180238D+00 -0.215528D+00  0.209714D+00
               176           177           178           179           180 
      1  -0.968647D+00  0.209714D+00  0.308054D+00 -0.226739D+00 -0.341564D-01
      2   0.636061D+01 -0.201027D+00 -0.226739D+00  0.104436D+01  0.649993D+00
      3  -0.201027D+00  0.146982D+01 -0.341564D-01  0.649993D+00  0.128442D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.674698D+00 -0.610243D+00  0.318514D+01 -0.103408D+01 -0.339833D+00
      2  -0.193565D+00  0.946458D+00  0.270380D+01 -0.259601D+00  0.215775D+01
      3   0.523921D+01 -0.896959D+01 -0.466336D+00  0.868442D+01  0.291553D+01
                 6             7             8             9            10 
      1  -0.226135D+01  0.627287D+01  0.393214D+01  0.510748D+00  0.923303D+00
      2  -0.760031D+01 -0.361147D+01 -0.973975D+01 -0.225053D+01  0.956552D+00
      3  -0.989974D+00  0.591795D+00 -0.159199D+01  0.515011D+01 -0.940313D+01
                11            12            13            14            15 
      1   0.757143D+00 -0.244392D+01  0.284296D+00  0.552392D+00 -0.328806D+01
      2   0.997864D+00 -0.177487D+01  0.126982D+01 -0.292937D+00 -0.157802D+01
      3  -0.501682D+01 -0.156442D+01  0.520158D+01  0.591236D+01 -0.136842D+00
                16            17            18            19            20 
      1  -0.446533D+01  0.906957D+00 -0.455824D+00 -0.137662D+01 -0.346128D-01
      2  -0.123051D+02 -0.215973D+01 -0.113946D+01 -0.314496D+01 -0.867786D-01
      3  -0.371281D+00 -0.636468D+00  0.532631D+01  0.457430D+01  0.630777D+01
                21            22            23            24            25 
      1  -0.243302D-02 -0.806935D+00 -0.192827D+01  0.181638D+01 -0.580790D+00
      2  -0.178520D+01 -0.496131D+00  0.848592D+00 -0.955237D+00 -0.169933D+02
      3   0.261738D+00  0.169511D+02  0.766884D+00 -0.176748D+00 -0.137531D+01
                26            27            28            29            30 
      1   0.102220D+02  0.191070D+01  0.667161D-01 -0.213341D+00  0.328106D+01
      2   0.188259D+00 -0.182013D+01  0.581401D+00  0.421530D+00 -0.162906D+01
      3  -0.561267D+00  0.816567D+00 -0.125916D+01  0.337727D+00  0.294354D+00
                31            32            33            34            35 
      1   0.476485D-01  0.107376D+00 -0.201207D+01  0.670143D+01  0.353391D+01
      2   0.179177D+01  0.128569D+00  0.122532D+01 -0.120795D+02  0.378724D+00
      3  -0.515170D+00 -0.576018D+01  0.108197D+00 -0.800868D+00  0.705270D+00
                36            37            38            39            40 
      1   0.244029D+00 -0.278313D+00  0.894248D+00 -0.239207D+01  0.751224D+00
      2   0.234529D+00 -0.261041D+00  0.113813D+01 -0.658785D-01  0.446639D+00
      3  -0.596051D+01  0.491036D+01 -0.140705D+02 -0.119254D+01  0.446041D+01
                41            42            43            44            45 
      1   0.118175D+00 -0.416030D+01 -0.512685D+01  0.882102D+00 -0.678432D+00
      2  -0.182601D+01  0.656164D+01 -0.794350D+01  0.921675D+01  0.245695D+01
      3  -0.347534D+00  0.121983D+01  0.504023D+00  0.149837D+01 -0.469261D+01
                46            47            48            49            50 
      1   0.305773D+00 -0.157381D+00 -0.112189D+01 -0.235487D+00 -0.129025D+01
      2  -0.137225D+00 -0.369862D+00  0.927825D+01 -0.293718D+01 -0.223160D+00
      3  -0.350867D+01 -0.711104D+01  0.533765D-01  0.108845D+02 -0.412081D+01
                51            52            53            54            55 
      1   0.318630D+01 -0.199243D+01  0.110008D+02  0.167603D+01 -0.694912D+00
      2   0.199045D+01  0.814843D+01  0.226069D+01  0.146540D+01  0.556419D+01
      3   0.312189D+00  0.198772D+01  0.183672D-01 -0.149762D+01 -0.415187D+01
                56            57            58            59            60 
      1  -0.262580D+00  0.336814D+00  0.121048D+01  0.202682D+01 -0.275046D+01
      2   0.132692D+01 -0.362801D+01 -0.438447D+00 -0.575414D+01  0.265322D+01
      3   0.110046D+01 -0.661228D+00  0.117442D+02  0.137614D+02  0.651265D+01
                61            62            63            64            65 
      1   0.125731D+01  0.208778D+01 -0.145752D+01 -0.903385D+00  0.270570D+01
      2  -0.164209D+02  0.642396D+00  0.302027D+01 -0.179041D+01 -0.159859D+01
      3   0.851820D+00  0.693239D+01 -0.450027D+01  0.707039D+01 -0.960915D+01
                66            67            68            69            70 
      1   0.123093D+01 -0.184285D+00  0.826210D+01 -0.208842D+01 -0.386989D+00
      2   0.193502D+02  0.128830D+01  0.274278D+01 -0.269702D+00  0.857194D+01
      3   0.381293D+01 -0.202862D+01 -0.164385D+02 -0.403401D+01  0.142169D+01
                71            72            73            74            75 
      1   0.544562D+01 -0.283645D+01  0.324249D+01 -0.252156D+01  0.392789D+00
      2   0.759701D+00 -0.121885D+02 -0.127096D+02 -0.488304D+01  0.145716D+02
      3  -0.535694D+01 -0.692300D+00  0.599770D+01 -0.729084D+01  0.109779D+01
                76            77            78            79            80 
      1  -0.137293D+00 -0.710382D+01 -0.880522D+01 -0.104302D+01 -0.369785D+01
      2  -0.340295D+01  0.112734D+02 -0.631166D+01  0.871159D+01 -0.480925D+01
      3  -0.837568D+00 -0.126263D+02 -0.111516D+02 -0.657221D+00 -0.106775D+02
                81            82            83            84            85 
      1   0.452641D+01 -0.221622D-01 -0.154065D+01 -0.146585D+01 -0.740748D+00
      2   0.413327D+01  0.462355D+01  0.425350D-01 -0.872697D+01 -0.169260D+01
      3   0.648676D+01 -0.910587D+00  0.873438D+00 -0.546605D+00  0.128667D+01
                86            87            88            89            90 
      1  -0.241884D+00  0.490201D-02 -0.846783D+00  0.266123D+01  0.221144D+01
      2   0.163682D+01  0.102518D+01 -0.876606D+01 -0.169763D+01  0.220008D+02
      3   0.697551D+00 -0.122973D+01 -0.484789D+00 -0.167309D+01  0.329403D+01
                91            92            93            94            95 
      1  -0.751811D-01 -0.162680D+00 -0.739018D+00 -0.266914D+00  0.963590D-01
      2   0.233486D+00  0.228861D+00  0.208054D+01 -0.315732D-01  0.279990D+01
      3  -0.391133D+01 -0.246791D+01 -0.284043D+00  0.227265D+01 -0.142371D+02
                96            97            98            99           100 
      1  -0.337341D+01 -0.402952D+00  0.874769D+00 -0.952722D+00 -0.142997D+01
      2   0.304996D+01  0.250291D+00  0.179979D+01  0.164623D+01 -0.450394D+01
      3  -0.304996D+01  0.196690D+00 -0.277629D+01 -0.138257D+01 -0.315729D+01
               101           102           103           104           105 
      1   0.230947D+01 -0.103500D+00  0.117594D+01 -0.323296D+01  0.136679D+01
      2   0.324880D+01 -0.605627D+01  0.325633D+01 -0.668657D+01  0.758639D+01
      3   0.241839D+01 -0.219824D+01  0.308363D+01 -0.482348D+01  0.589351D+01
               106           107           108           109           110 
      1  -0.133349D+00  0.461135D+01 -0.191578D+01 -0.174944D+01 -0.230621D+01
      2  -0.563130D+01  0.644332D+01 -0.140061D+02  0.109995D+02  0.169540D+01
      3  -0.142710D+01  0.491191D+01 -0.622998D+01 -0.108033D+01 -0.617214D+01
               111           112           113           114           115 
      1  -0.702071D+00 -0.185585D+01 -0.643308D-01 -0.225251D+00 -0.110812D+00
      2   0.530877D+01  0.184602D+01 -0.100906D-01  0.190396D+01  0.960591D+00
      3   0.764310D-01 -0.258346D+01 -0.725085D+00  0.142919D+01  0.253563D+00
               116           117           118           119           120 
      1   0.905566D+00 -0.590618D+00  0.147008D+01  0.750398D+00 -0.222895D+00
      2   0.891439D+00  0.928028D+00 -0.856004D+00 -0.967917D+00 -0.151835D+01
      3   0.131139D+01 -0.842768D+00  0.261597D+01  0.940223D+00  0.179255D+00
               121           122           123           124           125 
      1   0.106708D+00  0.108075D+02  0.118277D+01 -0.194879D+00  0.424471D+01
      2  -0.138162D+01 -0.615458D+01 -0.525818D+01 -0.185727D+01 -0.259738D+01
      3   0.203143D+01  0.165811D+02  0.611611D+01 -0.174584D+00  0.443714D+01
               126           127           128           129           130 
      1   0.163223D+01  0.696379D+00 -0.437324D+00  0.235147D+01  0.282856D+00
      2  -0.423867D+01  0.116580D+01 -0.429475D+00  0.880456D+00 -0.629820D+00
      3   0.305061D+01 -0.108845D+02  0.431393D+01 -0.171870D+00  0.763018D+01
               131           132           133           134           135 
      1   0.127980D+00 -0.319625D+01  0.784260D-02  0.193066D+01  0.308919D-01
      2   0.591535D+00 -0.153837D+01 -0.198037D+01  0.315853D+00 -0.134475D+00
      3  -0.575088D+01 -0.913733D+00 -0.829138D+00 -0.850467D+00 -0.264372D+00
               136           137           138           139           140 
      1  -0.626424D-01  0.115082D-01 -0.164852D+01 -0.665422D-01  0.310269D+00
      2   0.739100D-01  0.306354D+00  0.145252D+01  0.290159D+00  0.156201D+01
      3  -0.695748D+00 -0.252907D+01 -0.241192D+00 -0.148421D+01 -0.143027D+02
               141           142           143           144           145 
      1  -0.439163D+01  0.572450D+00  0.182369D+01 -0.367040D+00 -0.570951D-01
      2   0.277806D+01 -0.723722D+00 -0.249115D+00  0.452792D+00  0.577137D+00
      3  -0.148792D+01 -0.243436D+00 -0.172834D+01 -0.293393D+00 -0.868165D+00
               146           147           148           149           150 
      1   0.183529D+00 -0.678264D+00 -0.110556D-01  0.183034D-01 -0.416115D+00
      2   0.127969D-01  0.600483D+01  0.930962D+00  0.206872D+00  0.885334D+00
      3  -0.533913D+01  0.107513D-01 -0.385869D+01 -0.168624D+01 -0.242977D+00
               151           152           153           154           155 
      1   0.535535D+00  0.634456D+00  0.391815D-03  0.128282D+00 -0.364570D+00
      2  -0.324889D+01 -0.255034D+00 -0.148181D-01 -0.554427D-01 -0.342054D-02
      3  -0.854433D+00 -0.396739D+00  0.924883D-01  0.164972D+01 -0.495152D+01
               156           157           158           159           160 
      1   0.229529D+01  0.217764D+00  0.157352D-01 -0.330686D+01 -0.782746D+00
      2   0.288793D+01  0.590247D+00 -0.957967D+00 -0.324265D+01 -0.973814D+00
      3  -0.146106D+00 -0.355596D+01  0.111759D+02  0.850783D+00 -0.757866D+00
               161           162           163           164           165 
      1   0.159420D+01 -0.132225D+00  0.118137D+00  0.997506D-02 -0.152523D+01
      2   0.524353D+00 -0.313550D+00 -0.809790D+00 -0.650232D+00  0.333136D+00
      3   0.140142D+01 -0.616444D-01  0.632925D+01  0.418124D+01  0.583759D+00
               166           167           168           169           170 
      1  -0.416450D-02  0.418492D+00 -0.424235D+01  0.461103D+00  0.203243D+01
      2  -0.678168D+00 -0.126546D+01  0.583876D+00 -0.174801D+01 -0.249505D+00
      3   0.722840D+01  0.910681D+01  0.124596D+01  0.113001D+01  0.125629D+01
               171           172           173           174           175 
      1  -0.331632D+00  0.373251D+00  0.989192D+00 -0.278334D-01  0.821528D+00
      2   0.764060D-02  0.131310D+00 -0.770559D-01 -0.114329D+00  0.237849D+00
      3   0.824936D-01  0.154953D+01 -0.143804D+01 -0.184774D+00  0.167226D+01
               176           177           178           179           180 
      1  -0.995944D+01 -0.259255D+01  0.152777D+00 -0.113389D+01 -0.173767D+01
      2  -0.777278D+00 -0.348926D+01 -0.627330D+00 -0.156046D+01 -0.689335D+00
      3   0.197977D+02  0.174751D+00  0.103872D+01  0.377652D+01  0.211869D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.303628D+01  0.256993D+02  0.308268D+01 -0.285145D+02  0.508698D+01
      2  -0.513670D+00 -0.161867D+02  0.261059D+00  0.292699D+02 -0.102056D+02
      3   0.354995D+01 -0.951265D+01 -0.334374D+01 -0.755403D+00  0.511866D+01
      4   0.154307D+02  0.154848D+01  0.657619D+00 -0.668493D+00  0.107229D+02
      5   0.700668D+00  0.579562D+00  0.507725D+01 -0.296255D+01  0.504534D+01
      6   0.844024D-01 -0.919914D+00 -0.809635D+01  0.424220D+01 -0.414528D+01
                 6             7             8             9            10 
      1   0.806541D+00 -0.410675D+01  0.215898D+01  0.115541D+01  0.155992D+02
      2  -0.995909D+00  0.554739D+01 -0.467540D+01 -0.847428D+01 -0.105547D+02
      3   0.189368D+00 -0.144064D+01  0.251642D+01  0.731887D+01 -0.504449D+01
      4   0.515627D+01 -0.194342D+01  0.507591D+01 -0.152690D+02 -0.478418D+01
      5  -0.162238D+02  0.201815D+02 -0.155919D+02 -0.482248D+01 -0.208166D+00
      6   0.503397D+01 -0.733404D+01  0.131130D+02 -0.194062D+00 -0.581683D+00
                11            12            13            14            15 
      1  -0.118481D+02 -0.392939D+00  0.819053D+00  0.100934D+02  0.228052D+01
      2   0.854669D+01 -0.735006D+00 -0.103805D+02 -0.172177D+02 -0.484367D+01
      3   0.330138D+01  0.112794D+01  0.956140D+01  0.712435D+01  0.256315D+01
      4  -0.170401D+02 -0.153090D+01  0.102697D+02 -0.148068D+02 -0.902547D+00
      5  -0.142724D+01 -0.470713D+01  0.507821D+00 -0.106577D+01 -0.752292D+00
      6  -0.832431D+00  0.540908D+01 -0.274364D+01 -0.609659D+01  0.748449D+01
                16            17            18            19            20 
      1   0.122185D+01  0.191295D+01 -0.153830D+02 -0.202924D+02 -0.452769D+01
      2  -0.290063D+01 -0.593319D+01  0.200668D+01  0.559412D+01  0.278253D+01
      3   0.167878D+01  0.402025D+01  0.133764D+02  0.146983D+02  0.174516D+01
      4  -0.857675D+00 -0.159063D+01 -0.708669D+01 -0.262175D+01  0.211028D+01
      5   0.631721D+01 -0.550684D+01 -0.167679D+01 -0.263086D+01 -0.614741D+00
      6   0.175848D+01  0.158514D+02  0.266239D+01 -0.163372D+01  0.372240D+00
                21            22            23            24            25 
      1  -0.169059D+01  0.649716D+00 -0.124045D+02 -0.600080D+00 -0.215595D+01
      2  -0.461238D+00 -0.469885D+01  0.204955D+02  0.440675D+01 -0.118202D+01
      3   0.215183D+01  0.404913D+01 -0.809098D+01 -0.380667D+01  0.333797D+01
      4  -0.292751D+00 -0.127595D+02 -0.906894D+00  0.418755D+00 -0.289933D+01
      5   0.210971D+01 -0.386234D+01 -0.299387D-01 -0.171344D+01  0.696137D+01
      6   0.255119D+01 -0.233525D+01  0.328984D+01 -0.441454D+01  0.262405D+01
                26            27            28            29            30 
      1  -0.182120D+01 -0.612614D+01 -0.276436D+01  0.178882D+02  0.242963D+01
      2   0.291694D+01 -0.549935D+01  0.132288D+01 -0.124191D+02  0.989783D+00
      3  -0.109575D+01  0.116255D+02  0.144148D+01 -0.546910D+01 -0.341941D+01
      4   0.177284D+01  0.199529D+00  0.136728D+02 -0.116462D+02 -0.330448D+00
      5   0.561480D-01 -0.150550D+01 -0.262160D+00 -0.539958D+00 -0.312516D+01
      6   0.497011D+01 -0.148047D+01  0.950591D+00 -0.538878D+00 -0.770073D+01
                31            32            33            34            35 
      1  -0.663849D+01  0.549794D+01  0.253810D+01 -0.180326D+01  0.286224D+01
      2   0.170110D+02 -0.958280D+01 -0.165881D+01  0.478349D+01 -0.393511D+01
      3  -0.103725D+02  0.408485D+01 -0.879286D+00 -0.298022D+01  0.107288D+01
      4   0.559222D+01  0.150909D+02  0.183526D+01  0.172146D+01  0.595498D+00
      5   0.833105D+00  0.199869D+01 -0.106214D+01  0.134466D+01  0.144484D+01
      6   0.499995D+01 -0.297077D+01  0.485971D+01 -0.627414D+01  0.108753D+02
                36            37            38            39            40 
      1  -0.143218D+02  0.127904D+02 -0.222505D+02 -0.187106D+01  0.205049D+02
      2   0.179424D+01 -0.124722D+02  0.144021D+02  0.745365D-01 -0.198785D+02
      3   0.125275D+02 -0.318157D+00  0.784833D+01  0.179652D+01 -0.626367D+00
      4   0.330321D+01 -0.181839D+02 -0.606541D+01 -0.170596D+01  0.117813D+02
      5  -0.544275D+00 -0.130663D+01 -0.129729D+01 -0.183245D+01 -0.793560D+00
      6  -0.816905D-01 -0.238746D+01 -0.453198D+00  0.515441D+01 -0.303821D+01
                41            42            43            44            45 
      1   0.122067D+02  0.175611D+01  0.216948D+01  0.392919D+00 -0.615284D+01
      2  -0.195423D+02 -0.435459D+01 -0.398985D+01 -0.509115D+01 -0.341915D+01
      3   0.733566D+01  0.259849D+01  0.182037D+01  0.469823D+01  0.957199D+01
      4  -0.579053D+01 -0.408056D+01 -0.207376D+01 -0.533762D+01  0.146748D+02
      5  -0.395122D+01  0.135106D+02  0.131139D+02  0.151590D+02  0.504368D+01
      6  -0.681380D+01  0.883822D+01  0.658336D+01  0.164916D+02  0.194435D+01
                46            47            48            49            50 
      1  -0.150311D+02 -0.505461D+01 -0.271483D+01  0.110954D+02 -0.230858D+02
      2   0.912975D+01  0.326351D+01  0.917373D+00 -0.111833D+02  0.222218D+02
      3   0.590138D+01  0.179110D+01  0.179745D+01  0.879261D-01  0.864045D+00
      4  -0.223320D+01  0.224736D+02  0.254299D-01 -0.213349D+02 -0.204099D+01
      5  -0.318529D+01 -0.307168D+00  0.210491D+02 -0.643673D+01 -0.144909D+01
      6   0.491316D+00 -0.565132D-01  0.280119D+01 -0.168672D+01  0.311628D+01
                51            52            53            54            55 
      1  -0.446008D+01 -0.149464D+01 -0.440180D+01  0.135995D+02  0.133450D+02
      2   0.573460D+01 -0.863326D+00  0.340711D+01 -0.174612D+02 -0.499224D+01
      3  -0.127452D+01  0.235796D+01  0.994691D+00  0.386170D+01 -0.835271D+01
      4  -0.176836D+01 -0.705492D+01 -0.784719D+00  0.371933D+01  0.437529D+01
      5   0.430096D+01  0.375205D+02  0.389333D+01  0.322870D+01  0.558158D+01
      6  -0.583705D+01  0.242170D+01  0.599285D+01 -0.241409D+01 -0.810477D+00
                56            57            58            59            60 
      1  -0.398955D+00  0.554270D+00  0.161521D+02  0.631927D+01  0.527118D+01
      2  -0.363511D+00 -0.388358D+01 -0.156736D+02 -0.158794D+02 -0.832826D+01
      3   0.762467D+00  0.332931D+01 -0.478510D+00  0.956015D+01  0.305708D+01
      4  -0.721673D+01  0.218010D+01 -0.760778D+01 -0.276397D+02 -0.116220D+02
      5   0.157791D+01 -0.176863D+02  0.110440D+02 -0.999421D+01  0.948916D+01
      6  -0.115285D+01  0.128614D+01 -0.371860D+01 -0.490756D+01  0.570546D+00
                61            62            63            64            65 
      1  -0.329482D+01  0.282554D+01 -0.111206D+02  0.217180D+02 -0.728414D+00
      2  -0.368018D+01 -0.328439D+01  0.135056D+02 -0.110450D+02 -0.983084D+00
      3   0.697500D+01  0.458843D+00 -0.238498D+01 -0.106730D+02  0.171150D+01
      4   0.644636D+01 -0.108610D+02  0.255847D+01 -0.823807D+01  0.126480D+02
      5  -0.398795D+02  0.182469D+01  0.668030D+01  0.880520D+01 -0.543566D+01
      6  -0.469420D-01 -0.402138D+01  0.121947D+01 -0.468828D+01  0.445869D+01
                66            67            68            69            70 
      1  -0.721065D+01 -0.110290D+02  0.940854D+01 -0.275996D+01 -0.233168D+01
      2  -0.690257D+01  0.907333D+01 -0.128434D+02  0.593939D+00 -0.942438D+01
      3   0.141132D+02  0.195568D+01  0.343486D+01  0.216602D+01  0.117561D+02
      4  -0.401103D+01  0.165741D+02  0.222834D+02  0.965317D+01 -0.395232D+01
      5   0.277747D+02 -0.814769D+01  0.113861D+02 -0.441780D+01  0.356662D+02
      6  -0.410468D+01  0.701315D+01  0.730420D+01  0.609773D+01 -0.352908D+01
                71            72            73            74            75 
      1   0.138299D+01  0.260320D+02 -0.530600D+02 -0.141164D+02  0.141815D+02
      2  -0.300330D+01 -0.107875D+02  0.244335D+02  0.495378D+01  0.629411D+00
      3   0.162031D+01 -0.152445D+02  0.286265D+02  0.916257D+01 -0.148109D+02
      4   0.887222D+01 -0.479374D+01 -0.180116D+02  0.558739D+01 -0.162904D+01
      5  -0.175602D+01  0.909919D+01  0.174771D+02  0.172044D+01  0.156951D+02
      6   0.686687D+01 -0.150656D+01  0.696213D+01 -0.523546D+01  0.340714D+01
                76            77            78            79            80 
      1  -0.163553D+02  0.133361D+02 -0.614615D+01  0.102521D+01 -0.866362D+01
      2   0.988599D+01 -0.223757D+01 -0.150356D+01  0.109774D+02  0.249863D+00
      3   0.646936D+01 -0.110986D+02  0.764971D+01 -0.120026D+02  0.841375D+01
      4   0.286665D+01  0.209723D+02  0.158067D+02 -0.359091D+01  0.141061D+02
      5   0.280777D+01  0.118944D+02 -0.579969D+01  0.259450D+02 -0.332366D+01
      6  -0.130060D+01 -0.995543D+01 -0.130634D+02  0.315917D+01 -0.101407D+02
                81            82            83            84            85 
      1   0.196194D+02  0.189407D+01  0.949974D-02  0.127494D+02  0.398965D+01
      2  -0.142979D+02 -0.316257D+01  0.277951D+00  0.313204D+01 -0.184685D+01
      3  -0.532151D+01  0.126850D+01 -0.287450D+00 -0.158814D+02 -0.214280D+01
      4  -0.504734D+01  0.590371D+00 -0.145013D+01 -0.518927D+00  0.950889D+00
      5  -0.140849D+02  0.221188D+01  0.101998D+01 -0.637455D+01  0.388188D+00
      6   0.838785D+01  0.632505D+00 -0.169335D+01  0.115765D+01 -0.284231D+00
                86            87            88            89            90 
      1  -0.385724D+01 -0.469682D+00  0.119431D+02  0.200489D+01 -0.283992D+02
      2   0.101423D+01 -0.103156D+00 -0.154782D+01 -0.591873D+00 -0.956777D+01
      3   0.284301D+01  0.572838D+00 -0.103953D+02 -0.141302D+01  0.379669D+02
      4  -0.984919D+00  0.260162D+01 -0.213941D+01  0.291251D+01 -0.749891D-01
      5   0.183923D+01  0.522638D+00  0.102837D+01 -0.210740D+01  0.220016D+02
      6  -0.628300D+00  0.587099D+01  0.820034D+00  0.468564D+01 -0.502735D+01
                91            92            93            94            95 
      1   0.161443D+01  0.363631D+01  0.118498D+01  0.776892D+00 -0.140573D+02
      2   0.304259D+01 -0.517136D-01  0.117897D+00  0.371313D+01  0.275943D+02
      3  -0.465703D+01 -0.358460D+01 -0.130288D+01 -0.449002D+01 -0.135370D+02
      4   0.822127D+01  0.105128D+02  0.197361D+01  0.109029D+02  0.316742D+02
      5   0.188997D+01  0.198508D+01  0.515608D+01  0.125149D+01  0.501943D+01
      6   0.239112D+01  0.880367D+00  0.411840D+00  0.110387D+01  0.816945D+01
                96            97            98            99           100 
      1  -0.269684D+01  0.929412D+00 -0.265086D+01 -0.310682D+01 -0.266151D+01
      2   0.411230D+01  0.556344D+00  0.284147D+01  0.210908D+01 -0.432045D+00
      3  -0.141546D+01 -0.148576D+01 -0.190617D+00  0.997744D+00  0.309355D+01
      4   0.567511D+01  0.191821D+01  0.567282D+01  0.507086D+01  0.233169D+01
      5   0.656694D+01  0.620590D+01  0.466232D+01  0.305013D+01 -0.658337D-01
      6   0.570902D+01  0.143580D+01  0.825449D+01  0.369917D+01 -0.387545D+01
               101           102           103           104           105 
      1   0.698705D+01 -0.110769D+02  0.682192D+01 -0.122113D+02  0.117239D+02
      2  -0.259405D+01 -0.325478D+00 -0.366397D+01  0.520002D+01  0.194188D+00
      3  -0.439300D+01  0.114023D+02 -0.315796D+01  0.701133D+01 -0.119181D+02
      4  -0.209395D+01  0.146286D+01  0.155251D+01  0.724189D+01 -0.944632D+01
      5  -0.460712D+00 -0.312981D+01 -0.398753D+01 -0.690663D+01  0.971439D+01
      6   0.476457D+01 -0.486792D+01  0.127876D+01 -0.109747D+02  0.136203D+02
               106           107           108           109           110 
      1  -0.607190D+01  0.104622D+02 -0.229586D+02  0.827058D+02  0.970214D+01
      2   0.777770D+00  0.521951D+00 -0.609590D+01 -0.435599D+02 -0.368055D+01
      3   0.529414D+01 -0.109841D+02  0.290545D+02 -0.391459D+02 -0.602159D+01
      4   0.745385D-01 -0.827222D+01  0.866910D+01  0.167593D+02  0.124368D+02
      5   0.378508D+01  0.702798D+01 -0.160643D+02 -0.332053D+02 -0.418688D+01
      6  -0.163982D+01  0.117106D+02 -0.146071D+02 -0.541357D+01 -0.392120D+01
               111           112           113           114           115 
      1  -0.820149D+01  0.118689D+02  0.687288D+01 -0.638254D-01  0.238987D+01
      2   0.813039D+01 -0.471756D+01 -0.245152D+01  0.139358D+01  0.132514D+01
      3   0.711037D-01 -0.715137D+01 -0.442135D+01 -0.132975D+01 -0.371501D+01
      4  -0.229957D+01  0.145585D+02  0.464160D+01 -0.329885D+01  0.248207D+00
      5   0.155477D+02 -0.586785D+01 -0.465091D+01  0.392014D+01  0.918114D+01
      6   0.153255D+01 -0.367482D+01 -0.895561D+00  0.316297D+01  0.955809D+00
               116           117           118           119           120 
      1   0.954753D+00  0.475447D+01  0.492817D+01 -0.286101D+01 -0.436318D+01
      2   0.627257D+00 -0.366153D+01 -0.193302D+01  0.185250D+01  0.552671D+00
      3  -0.158201D+01 -0.109294D+01 -0.299515D+01  0.100852D+01  0.381051D+01
      4  -0.958029D+00  0.273381D+01 -0.226223D+01  0.150645D+01  0.845894D+00
      5   0.218490D+01 -0.233960D+01 -0.311931D+01  0.203390D+01 -0.394038D+00
      6   0.208221D+01 -0.113621D+01  0.217645D+01  0.862309D+00  0.701088D-02
               121           122           123           124           125 
      1  -0.542190D+01 -0.930078D+01 -0.418916D+01 -0.194916D+01 -0.344848D+01
      2   0.336021D+01  0.820164D+01 -0.167623D+01  0.112656D+01 -0.808151D+00
      3   0.206170D+01  0.109915D+01  0.586539D+01  0.822603D+00  0.425663D+01
      4   0.639179D+01 -0.281883D+02 -0.111169D+02  0.152765D+01 -0.780127D+01
      5   0.736086D+01 -0.951337D+01 -0.114632D+02  0.222101D+01 -0.530746D+01
      6  -0.179354D+01  0.196565D+02  0.115135D+02 -0.112372D+01  0.100097D+02
               126           127           128           129           130 
      1  -0.725583D+01 -0.467360D+01  0.719040D+01  0.660189D+00  0.790710D+01
      2  -0.521365D+00  0.657772D+01 -0.102976D+02 -0.688235D+00 -0.112475D+02
      3   0.777719D+01 -0.190412D+01  0.310717D+01  0.280465D-01  0.334040D+01
      4  -0.574553D+01 -0.884176D+01  0.862391D+01  0.554164D+00  0.857646D+01
      5  -0.652125D+01  0.118820D+00  0.626356D+00  0.210763D+01  0.729944D+00
      6   0.582585D+01  0.525272D+00 -0.589711D+00 -0.226725D+01 -0.121525D+01
               131           132           133           134           135 
      1  -0.209939D+02 -0.200953D+01  0.115079D+01 -0.172990D+01 -0.641113D+00
      2   0.286572D+02  0.158922D+01 -0.157736D+01  0.207665D+01  0.129351D+01
      3  -0.766334D+01  0.420308D+00  0.426577D+00 -0.346757D+00 -0.652398D+00
      4  -0.897877D+01 -0.422445D+00  0.914578D+00 -0.384062D+00 -0.208820D+01
      5  -0.583760D+00 -0.176324D+01  0.890017D+00 -0.622865D+00 -0.338980D+00
      6   0.263970D+01  0.487938D+01 -0.495619D+00  0.190021D+01  0.840694D+00
               136           137           138           139           140 
      1   0.535205D+01  0.440359D+01  0.489258D+00 -0.139779D+01 -0.170442D+02
      2   0.395198D+01  0.606980D+01  0.288543D+00  0.128280D+02  0.414465D+02
      3  -0.930403D+01 -0.104734D+02 -0.777801D+00 -0.114303D+02 -0.244023D+02
      4   0.187100D+02  0.237484D+02  0.274821D+01  0.250308D+02  0.488818D+02
      5   0.236186D+01  0.271129D+01  0.368569D+01  0.288571D+01  0.516168D+01
      6   0.182161D+01  0.217095D+01  0.232654D+01  0.299837D+01  0.735540D+01
               141           142           143           144           145 
      1  -0.202987D+01 -0.220739D-01 -0.172093D+01 -0.134381D+01  0.100523D+03
      2   0.333231D+01  0.125421D+01  0.414911D+01  0.256036D+01 -0.562870D+02
      3  -0.130245D+01 -0.123213D+01 -0.242818D+01 -0.121655D+01 -0.442364D+02
      4   0.537093D+01  0.330997D+01  0.618314D+01  0.250245D+01  0.158585D+02
      5   0.465871D+01  0.129507D+01  0.174891D+01  0.124145D+01  0.513532D+01
      6   0.738529D+01  0.161947D+01  0.306836D+01  0.181882D+01 -0.930118D+00
               146           147           148           149           150 
      1   0.100609D+02  0.332227D+01  0.853742D+01  0.984700D+01  0.103635D+01
      2  -0.493109D+01 -0.221950D+01 -0.358975D+01 -0.434052D+01 -0.821469D+00
      3  -0.512977D+01 -0.110277D+01 -0.494767D+01 -0.550648D+01 -0.214884D+00
      4   0.998714D+01  0.508572D+00  0.164561D+02  0.506896D+01  0.800529D+00
      5   0.504951D+00  0.969206D+01  0.217767D+01  0.817999D+00  0.130424D+01
      6   0.124890D+00  0.812879D+00  0.456094D+00  0.319115D-01  0.154162D+01
               151           152           153           154           155 
      1   0.394467D+01  0.111788D+01  0.311461D+01  0.227856D+02 -0.142365D+02
      2  -0.208414D+01 -0.546125D+00 -0.173412D+01 -0.377186D+01 -0.125071D+01
      3  -0.186054D+01 -0.571752D+00 -0.138049D+01 -0.190137D+02  0.154872D+02
      4   0.238206D+01  0.844876D+00  0.555307D+00 -0.344373D+02  0.314583D+02
      5   0.157393D+01  0.219664D+00  0.297727D+00 -0.336603D+01  0.240822D+01
      6   0.116872D+00  0.394963D+00  0.245550D+00  0.129824D+01 -0.104749D+01
               156           157           158           159           160 
      1  -0.138486D+01 -0.945872D+01  0.382340D+01  0.412556D+00 -0.518574D+00
      2   0.501152D+00 -0.690902D+01  0.173154D+02  0.452971D+00 -0.754756D+00
      3   0.883712D+00  0.163677D+02 -0.211388D+02 -0.865526D+00  0.127333D+01
      4   0.225678D+01  0.348774D+02 -0.449584D+02 -0.391528D+01  0.348916D+01
      5   0.563143D+01  0.367757D+01 -0.417921D+01 -0.503743D+01  0.193066D+01
      6  -0.305165D+01 -0.227985D+01  0.313704D+01  0.545067D+01 -0.155767D+01
               161           162           163           164           165 
      1   0.857528D-01  0.197818D+00 -0.532066D+01 -0.922242D+01 -0.133646D+01
      2   0.162787D+01  0.113530D+01  0.708249D+01  0.113564D+02  0.978961D+00
      3  -0.171363D+01 -0.133311D+01 -0.176183D+01 -0.213396D+01  0.357497D+00
      4  -0.435215D+01 -0.251250D+01  0.344131D+01  0.738509D+01  0.698985D+00
      5  -0.199432D+01 -0.925899D+00  0.461588D+00  0.565881D+00  0.138124D+01
      6   0.208039D+01  0.949255D+00  0.128667D+01  0.191601D+01  0.211780D+01
               166           167           168           169           170 
      1  -0.736022D+01 -0.347092D+02 -0.416870D+01 -0.132439D+01 -0.449229D+01
      2   0.926337D+01  0.476108D+02  0.418936D+01  0.156663D+01  0.554352D+01
      3  -0.190315D+01 -0.129016D+02 -0.206539D-01 -0.242234D+00 -0.105124D+01
      4   0.513628D+01 -0.127078D+01 -0.492599D+00  0.771900D+00 -0.506277D-01
      5   0.617354D+00 -0.664259D+00  0.202131D+00  0.148331D+00  0.644148D+00
      6   0.138191D+01  0.714223D+01  0.697769D+01  0.502927D+00  0.285733D+01
               171           172           173           174           175 
      1  -0.187495D+01  0.561503D+01 -0.628403D+00  0.277560D+01 -0.279925D+01
      2   0.282175D+01 -0.342630D+01 -0.599494D+00 -0.195161D+01 -0.911142D+00
      3  -0.946799D+00 -0.218874D+01  0.122790D+01 -0.823990D+00  0.371039D+01
      4   0.138135D+01  0.117605D-02  0.447350D+01  0.100271D+01  0.737639D+01
      5   0.242660D+00  0.349567D+01  0.113238D+01  0.145442D+01 -0.222321D+01
      6   0.168166D+01  0.170045D+01  0.890981D+00  0.111316D+01  0.148649D+01
               176           177           178           179           180 
      1  -0.748609D+01  0.203777D+01 -0.294541D+00  0.103714D+01 -0.253030D+01
      2   0.198601D+02  0.174819D+01 -0.503879D+00  0.217607D+01  0.155184D+01
      3  -0.123740D+02 -0.378596D+01  0.798420D+00 -0.321320D+01  0.978459D+00
      4  -0.312337D+02  0.637591D+00  0.170765D+01 -0.564354D+01 -0.275021D+01
      5  -0.174547D+00 -0.595680D+01  0.109290D+01 -0.287703D+01 -0.117139D+01
      6  -0.118582D+02  0.343148D+01 -0.218302D+00  0.194452D+01 -0.231262D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 21:42:05 2021, MaxMem=  5368709120 cpu:           16205.2 elap:            2030.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -14.60170 -10.46954 -10.44740 -10.44528 -10.44464
 Alpha  occ. eigenvalues --  -10.44340 -10.44289 -10.44232 -10.42623  -1.03812
 Alpha  occ. eigenvalues --   -0.99893  -0.90337  -0.88798  -0.85816  -0.76120
 Alpha  occ. eigenvalues --   -0.73578  -0.70171  -0.64347  -0.61339  -0.58425
 Alpha  occ. eigenvalues --   -0.57063  -0.55337  -0.53742  -0.53080  -0.50638
 Alpha  occ. eigenvalues --   -0.48630  -0.47214  -0.46158  -0.44791  -0.43694
 Alpha  occ. eigenvalues --   -0.36421  -0.35440  -0.33683
 Alpha virt. eigenvalues --   -0.01258  -0.00450  -0.00203   0.00478   0.01287
 Alpha virt. eigenvalues --    0.01452   0.02311   0.02953   0.03425   0.04003
 Alpha virt. eigenvalues --    0.04833   0.05341   0.05825   0.06665   0.07708
 Alpha virt. eigenvalues --    0.08159   0.08972   0.09687   0.10035   0.10352
 Alpha virt. eigenvalues --    0.10739   0.10951   0.11584   0.12085   0.12372
 Alpha virt. eigenvalues --    0.12686   0.13012   0.13211   0.13812   0.14209
 Alpha virt. eigenvalues --    0.14619   0.15001   0.15489   0.15982   0.16704
 Alpha virt. eigenvalues --    0.16866   0.17829   0.19257   0.19670   0.20581
 Alpha virt. eigenvalues --    0.21723   0.22950   0.23925   0.24550   0.25564
 Alpha virt. eigenvalues --    0.26220   0.26434   0.27497   0.27656   0.27956
 Alpha virt. eigenvalues --    0.28286   0.29241   0.30489   0.30854   0.30971
 Alpha virt. eigenvalues --    0.31727   0.32151   0.32255   0.33536   0.33944
 Alpha virt. eigenvalues --    0.34278   0.35383   0.35840   0.36878   0.37607
 Alpha virt. eigenvalues --    0.38572   0.38911   0.39019   0.39774   0.41275
 Alpha virt. eigenvalues --    0.41821   0.42027   0.43512   0.43944   0.44530
 Alpha virt. eigenvalues --    0.45917   0.47103   0.47598   0.48257   0.49259
 Alpha virt. eigenvalues --    0.49486   0.50086   0.50454   0.50933   0.51395
 Alpha virt. eigenvalues --    0.52378   0.52976   0.53192   0.54798   0.55170
 Alpha virt. eigenvalues --    0.55777   0.56636   0.57134   0.57420   0.58159
 Alpha virt. eigenvalues --    0.58974   0.59347   0.60190   0.60474   0.61116
 Alpha virt. eigenvalues --    0.61586   0.62225   0.62648   0.62923   0.64570
 Alpha virt. eigenvalues --    0.65060   0.65952   0.66251   0.66978   0.67208
 Alpha virt. eigenvalues --    0.68255   0.68511   0.69467   0.70518   0.71358
 Alpha virt. eigenvalues --    0.71883   0.72765   0.73012   0.73568   0.74315
 Alpha virt. eigenvalues --    0.75271   0.75497   0.77155   0.79021   0.79477
 Alpha virt. eigenvalues --    0.82110   0.82476   0.83041   0.83108   0.83922
 Alpha virt. eigenvalues --    0.84603   0.85018   0.85904   0.86093   0.87065
 Alpha virt. eigenvalues --    0.87510   0.87711   0.89586   0.90952   0.92105
 Alpha virt. eigenvalues --    0.92887   0.94851   0.95941   0.96588   0.98506
 Alpha virt. eigenvalues --    1.00300   1.01036   1.02183   1.02765   1.05149
 Alpha virt. eigenvalues --    1.05595   1.07146   1.08072   1.10119   1.11585
 Alpha virt. eigenvalues --    1.13304   1.15936   1.18370   1.20493   1.22051
 Alpha virt. eigenvalues --    1.25319   1.26474   1.31506   1.35486   1.36589
 Alpha virt. eigenvalues --    1.37409   1.38100   1.41333   1.42390   1.43298
 Alpha virt. eigenvalues --    1.44542   1.45289   1.46260   1.46819   1.48604
 Alpha virt. eigenvalues --    1.49420   1.49857   1.51114   1.52352   1.54997
 Alpha virt. eigenvalues --    1.57578   1.57967   1.58564   1.59209   1.60339
 Alpha virt. eigenvalues --    1.62196   1.64376   1.65466   1.67554   1.68189
 Alpha virt. eigenvalues --    1.71010   1.72126   1.73859   1.75472   1.75993
 Alpha virt. eigenvalues --    1.76466   1.77166   1.79032   1.80608   1.80787
 Alpha virt. eigenvalues --    1.80960   1.83071   1.85266   1.87566   1.89105
 Alpha virt. eigenvalues --    1.89848   1.92221   1.92361   1.94160   1.94575
 Alpha virt. eigenvalues --    1.95765   1.96191   1.99064   2.00365   2.03898
 Alpha virt. eigenvalues --    2.04194   2.04979   2.06859   2.07672   2.07870
 Alpha virt. eigenvalues --    2.10738   2.11787   2.13542   2.15070   2.15847
 Alpha virt. eigenvalues --    2.17108   2.18215   2.19277   2.20674   2.21580
 Alpha virt. eigenvalues --    2.23330   2.24900   2.26168   2.29658   2.31862
 Alpha virt. eigenvalues --    2.34036   2.36772   2.38542   2.39902   2.41033
 Alpha virt. eigenvalues --    2.44610   2.46869   2.48131   2.53747   2.54094
 Alpha virt. eigenvalues --    2.54297   2.56963   2.58378   2.60171   2.61675
 Alpha virt. eigenvalues --    2.65625   2.67481   2.67970   2.72982   2.76321
 Alpha virt. eigenvalues --    2.78438   2.80297   2.81827   2.87919   2.92650
 Alpha virt. eigenvalues --    2.93436   2.99420   3.03106   3.05188   3.09746
 Alpha virt. eigenvalues --    3.11643   3.14648   3.26963   3.44100   3.46242
 Alpha virt. eigenvalues --    3.61223   3.76673   4.57259
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   18.007324  -9.402350   5.877777  -7.462821   7.242840  -8.079685
     2  C   -9.402350  28.561268 -13.986432   4.808364  -8.265150   6.979450
     3  C    5.877777 -13.986432  26.234119 -13.304547   7.249718  -7.349274
     4  C   -7.462821   4.808364 -13.304547  28.357402 -10.272155   6.823341
     5  C    7.242840  -8.265150   7.249718 -10.272155  19.225186  -8.461233
     6  C   -8.079685   6.979450  -7.349274   6.823341  -8.461233  15.945230
     7  C   -0.177782  -0.565286  -3.954627  -0.826725  -1.188619   0.347527
     8  N    0.060053  -0.434465   0.862134  -0.335226   0.219783  -0.092640
     9  C    0.332144  -0.923226   0.965857  -0.996475   0.553335  -0.288317
    10  H    0.037202  -0.000720   0.027984  -0.028491   0.009754  -0.016426
    11  H   -0.093369   0.037611   0.667824   0.020740  -0.045094   0.043703
    12  H   -0.016243   0.051258  -0.308588   0.069021  -0.020652   0.007444
    13  H    0.010097  -0.127099   0.382884  -0.000326   0.028570  -0.010591
    14  H    0.045283   0.000271   0.107064  -0.220422   0.051365  -0.033289
    15  H    0.058055  -0.096258   1.026210  -2.787612   0.637355  -0.137623
    16  H   -0.274281   0.136392  -0.333568   1.187102  -1.715665   0.738221
    17  H    0.736733  -0.172377   0.101968  -0.115888   0.792314  -1.558620
    18  H   -1.586226   0.981948  -0.233340   0.104673  -0.246009   0.702791
    19  H    0.534887  -2.640935   1.306199   0.041055   0.082394  -0.178228
    20  H    0.001516   0.070581  -0.241366   0.073143  -0.030733   0.003264
               7          8          9         10         11         12
     1  C   -0.177782   0.060053   0.332144   0.037202  -0.093369  -0.016243
     2  C   -0.565286  -0.434465  -0.923226  -0.000720   0.037611   0.051258
     3  C   -3.954627   0.862134   0.965857   0.027984   0.667824  -0.308588
     4  C   -0.826725  -0.335226  -0.996475  -0.028491   0.020740   0.069021
     5  C   -1.188619   0.219783   0.553335   0.009754  -0.045094  -0.020652
     6  C    0.347527  -0.092640  -0.288317  -0.016426   0.043703   0.007444
     7  C   15.667000  -0.944124  -0.704410  -0.082246  -1.872408   0.073423
     8  N   -0.944124   6.472039   0.225594   0.263199   0.238314   0.073497
     9  C   -0.704410   0.225594   5.190572   0.012485   0.172801   0.161768
    10  H   -0.082246   0.263199   0.012485   1.001436  -0.046217  -0.008172
    11  H   -1.872408   0.238314   0.172801  -0.046217   2.467340  -0.036483
    12  H    0.073423   0.073497   0.161768  -0.008172  -0.036483   1.726901
    13  H   -0.019829  -0.052715   0.048604   0.014515  -0.024554  -0.300412
    14  H   -0.144851  -0.006233   0.442383   0.006938   0.088507  -0.316443
    15  H    0.361273  -0.048157   0.052939   0.003167  -0.006890  -0.003915
    16  H    0.006718   0.002513   0.008818  -0.000684   0.001019  -0.001071
    17  H   -0.012637  -0.001661  -0.005401  -0.000129   0.001386   0.000209
    18  H    0.038308   0.000793   0.003623   0.000254   0.002806  -0.002622
    19  H    0.190743   0.005274   0.067424   0.009043  -0.114469   0.001733
    20  H    0.156276   0.248874  -0.095314  -0.167538   0.070515   0.014304
              13         14         15         16         17         18
     1  C    0.010097   0.045283   0.058055  -0.274281   0.736733  -1.586226
     2  C   -0.127099   0.000271  -0.096258   0.136392  -0.172377   0.981948
     3  C    0.382884   0.107064   1.026210  -0.333568   0.101968  -0.233340
     4  C   -0.000326  -0.220422  -2.787612   1.187102  -0.115888   0.104673
     5  C    0.028570   0.051365   0.637355  -1.715665   0.792314  -0.246009
     6  C   -0.010591  -0.033289  -0.137623   0.738221  -1.558620   0.702791
     7  C   -0.019829  -0.144851   0.361273   0.006718  -0.012637   0.038308
     8  N   -0.052715  -0.006233  -0.048157   0.002513  -0.001661   0.000793
     9  C    0.048604   0.442383   0.052939   0.008818  -0.005401   0.003623
    10  H    0.014515   0.006938   0.003167  -0.000684  -0.000129   0.000254
    11  H   -0.024554   0.088507  -0.006890   0.001019   0.001386   0.002806
    12  H   -0.300412  -0.316443  -0.003915  -0.001071   0.000209  -0.002622
    13  H    1.586513  -0.406553   0.019159   0.000178  -0.000198   0.000992
    14  H   -0.406553   1.686162  -0.069914   0.005225  -0.000430   0.000323
    15  H    0.019159  -0.069914   3.152810  -0.155475  -0.028925   0.016008
    16  H    0.000178   0.005225  -0.155475   2.004096  -0.072323  -0.030068
    17  H   -0.000198  -0.000430  -0.028925  -0.072323   1.934120  -0.069589
    18  H    0.000992   0.000323   0.016008  -0.030068  -0.069589   1.938446
    19  H   -0.000554   0.006838  -0.046203   0.015653  -0.026540  -0.123338
    20  H   -0.035234   0.013523  -0.068969  -0.002238   0.000412  -0.000192
              19         20
     1  C    0.534887   0.001516
     2  C   -2.640935   0.070581
     3  C    1.306199  -0.241366
     4  C    0.041055   0.073143
     5  C    0.082394  -0.030733
     6  C   -0.178228   0.003264
     7  C    0.190743   0.156276
     8  N    0.005274   0.248874
     9  C    0.067424  -0.095314
    10  H    0.009043  -0.167538
    11  H   -0.114469   0.070515
    12  H    0.001733   0.014304
    13  H   -0.000554  -0.035234
    14  H    0.006838   0.013523
    15  H   -0.046203  -0.068969
    16  H    0.015653  -0.002238
    17  H   -0.026540   0.000412
    18  H   -0.123338  -0.000192
    19  H    2.600902  -0.000142
    20  H   -0.000142   1.057120
 Mulliken charges:
               1
     1  C    0.148846
     2  C    0.987156
     3  C    0.902005
     4  C    0.865846
     5  C    0.152694
     6  C    0.614957
     7  C   -0.347725
     8  N    0.243156
     9  C    0.774796
    10  H   -0.035357
    11  H   -0.573082
    12  H   -0.164957
    13  H   -0.113448
    14  H   -0.255746
    15  H   -0.877035
    16  H   -0.520563
    17  H   -0.502423
    18  H   -0.499582
    19  H   -0.731735
    20  H   -0.067803
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.350736
     2  C    0.255421
     3  C    0.902005
     4  C   -0.011189
     5  C   -0.367869
     6  C    0.112534
     7  C   -0.920807
     8  N    0.139996
     9  C    0.240644
 Electronic spatial extent (au):  <R**2>=           1292.4271
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              1.0647    Y=              0.3365    Z=              0.1733  Tot=              1.1300
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -57.8923   YY=            -49.4207   ZZ=            -57.5750
   XY=             -0.8727   XZ=             -2.0594   YZ=              0.2719
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -2.9296   YY=              5.5420   ZZ=             -2.6124
   XY=             -0.8727   XZ=             -2.0594   YZ=              0.2719
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             36.4105  YYY=              3.2177  ZZZ=             -7.1353  XYY=             -1.3467
  XXY=              1.4842  XXZ=             11.2179  XZZ=             -7.0268  YZZ=              0.5736
  YYZ=             -1.6983  XYZ=              2.5240
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1259.0877 YYYY=           -318.7417 ZZZZ=           -206.5204 XXXY=             -1.0255
 XXXZ=            -38.2094 YYYX=             -7.9504 YYYZ=              3.6601 ZZZX=              9.9832
 ZZZY=             -5.8737 XXYY=           -237.9536 XXZZ=           -266.4096 YYZZ=            -98.4159
 XXYZ=              0.9130 YYXZ=              5.0155 ZZXY=             -1.9089
 N-N= 4.251332285289D+02 E-N=-1.698978716919D+03  KE= 3.636642855879D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 21:42:05 2021, MaxMem=  5368709120 cpu:               1.5 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 3.60881632D-01 1.47142918D-01 2.89654388D-02
 Polarizability= 1.25905636D+02-5.33705862D-01 1.01147794D+02
                 4.22351598D-01 2.65996868D+00 7.09134516D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.4449   -0.4451       -0.1056   -0.1108
 2      0.4449    0.4451       -1.2993   -1.2982      -13.7751  -13.7679
 3      0.1056    0.1108       28.7145   28.7054        1.2870    1.2982
 4      1.2993    1.2982       -0.0000    0.0000        0.1034    0.1108
 5    -14.9394  -14.9374       -0.1034   -0.1108       -0.4496   -0.4451
 6     -1.2870   -1.2982        0.4496    0.4451        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        1.3352    1.3352       -0.3325   -0.3325
 2      3.8945    3.8945        0.0000    0.0000       -0.3325   -0.3325
 3      3.8945    3.8945        1.3352    1.3352        0.0000    0.0000
 4      1.3352    1.3352       -3.8945   -3.8945      -41.3037  -41.3037
 5      0.3325    0.3325       86.1161   86.1161        3.8945    3.8945
 6    -44.8123  -44.8123       -0.3325   -0.3325       -1.3352   -1.3352
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.1017    0.0000        2.0290    1.7802        0.1485    0.4433
 2     -1.6553   -1.7802        5.1061    5.1926       54.2402   55.0717
 3     -0.5087   -0.4433     -114.3844 -114.8214       -5.0701   -5.1926
 4     -4.8559   -5.1926        0.0047    0.0000       -0.2427   -0.4433
 5     59.9826   59.7498        0.6832    0.4433        1.3830    1.7802
 6      5.2243    5.1926       -2.0450   -1.7802        0.0690    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0342    0.0000       -3.0216   -3.0008       -3.0470   -3.4091
 2      3.4890    3.0008      -50.8683  -52.3874      -18.7426  -17.0930
 3      3.6825    3.4091      -14.4464  -13.9005       53.4235   52.3874
 4     52.3552   52.3874        0.2455    0.0000        3.4082    3.4091
 5     31.5713   30.9935       -2.6613   -3.4091       -3.7846   -3.0008
 6    -52.5218  -52.3874        2.6988    3.0008       -0.2346    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     41.4105   41.3300       -2.3504   -2.7871        3.2694    3.4064
 2    118.0174  117.7802       -0.8789   -1.9433        2.4918    3.4064
 3    118.1190  117.7802       -1.8043   -2.7871        3.4765    4.2832
 4     -0.9402   -0.8438      -75.8308  -76.4501      -22.0714  -21.8682
 5      1.0906    0.8769      -21.8436  -22.0725       77.0627   76.4501
 6     43.6865   43.9407       -0.8727   -0.8769       -0.5249    0.8438
 Full mass-weighted force constant matrix:
 Low frequencies ---   -6.4011   -3.6436   -0.0004    0.0004    0.0006    4.6940
 Low frequencies ---   24.7633  128.1845  212.2268
 Diagonal vibrational polarizability:
       15.5144911       8.8457676      21.4622711
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     24.7532               128.1837               212.2268
 Red. masses --      3.0053                 3.3459                 2.2565
 Frc consts  --      0.0011                 0.0324                 0.0599
 IR Inten    --      0.2393                 0.0500                 0.6238
 RamAct Fr= 1--      3.8254                 4.0374                 0.5237
  Dep-P Fr= 1--      0.7494                 0.7459                 0.2434
  Dep-U Fr= 1--      0.8568                 0.8545                 0.3916
 Alpha2 Fr= 1--      0.0000                 0.0003                 0.0063
 Beta2  Fr= 1--      0.5462                 0.5750                 0.0342
 AlphaG Fr= 1--      0.0003                 0.0006                -0.0011
 Gamma2 Fr= 1--     -0.4757                -0.0978                -0.0282
 Delta2 Fr= 1--     -0.5579                -0.1141                -0.0562
 Raman1 Fr= 1--      15.302                 16.150                  2.095
 ROA1   Fr= 1--     -63.519                -13.039                 -4.503
 CID1   Fr= 1--      -4.151                 -0.807                 -2.149
 Raman2 Fr= 1--       6.555                  6.900                  0.410
 ROA2   Fr= 1--      -6.953                 -1.434                 -0.226
 CID2   Fr= 1--      -1.061                 -0.208                 -0.550
 Raman3 Fr= 1--      13.110                 13.799                  0.820
 ROA3   Fr= 1--     -63.519                -13.039                 -4.503
 CID3   Fr= 1--      -4.845                 -0.945                 -5.489
 RC180  Fr= 1--       0.714                  0.709                 -0.217
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02  -0.16    -0.01  -0.01   0.04     0.04   0.03   0.00
     2   6     0.01   0.01  -0.10    -0.00   0.02  -0.15     0.05  -0.09  -0.01
     3   6    -0.00  -0.02   0.06    -0.00   0.02  -0.17    -0.01  -0.13  -0.02
     4   6    -0.01  -0.03   0.17    -0.00   0.01  -0.10    -0.10  -0.10  -0.02
     5   6    -0.01  -0.01   0.12    -0.01  -0.01   0.10    -0.13   0.01  -0.00
     6   6     0.00   0.01  -0.05    -0.01  -0.03   0.20    -0.05   0.06   0.01
     7   6    -0.00  -0.02   0.07    -0.00   0.00  -0.04    -0.01  -0.03  -0.01
     8   7     0.05  -0.16  -0.09    -0.17  -0.08   0.02     0.09   0.09   0.01
     9   6    -0.05   0.20   0.00     0.21   0.09   0.05     0.08   0.10   0.02
    10   1     0.06  -0.36  -0.07    -0.34  -0.17  -0.06     0.15   0.14   0.04
    11   1    -0.00  -0.05   0.22    -0.02  -0.02   0.06    -0.16  -0.01  -0.00
    12   1    -0.08   0.33   0.12     0.37   0.18   0.03    -0.17  -0.16  -0.04
    13   1    -0.05   0.19  -0.00     0.21   0.03   0.26    -0.01   0.54   0.01
    14   1    -0.07   0.25  -0.15     0.21   0.12  -0.06     0.51   0.02   0.11
    15   1    -0.02  -0.04   0.31    -0.00   0.01  -0.13    -0.16  -0.15  -0.03
    16   1    -0.02  -0.02   0.21    -0.01  -0.03   0.20    -0.20   0.04   0.00
    17   1     0.00   0.02  -0.09    -0.02  -0.05   0.39    -0.07   0.14   0.03
    18   1     0.02   0.04  -0.29    -0.01  -0.01   0.09     0.11   0.08   0.02
    19   1     0.01   0.02  -0.19    -0.00   0.02  -0.22     0.12  -0.12  -0.01
    20   1     0.12  -0.12  -0.27    -0.11  -0.05  -0.07     0.15   0.07   0.10
                      4                      5                      6
                      A                      A                      A
 Frequencies --    249.2262               265.1189               315.4935
 Red. masses --      1.1827                 1.1420                 2.9878
 Frc consts  --      0.0433                 0.0473                 0.1752
 IR Inten    --     25.7132                12.8287                 1.9843
 RamAct Fr= 1--      0.2269                 0.2064                 1.6196
  Dep-P Fr= 1--      0.4414                 0.6885                 0.2263
  Dep-U Fr= 1--      0.6125                 0.8155                 0.3691
 Alpha2 Fr= 1--      0.0014                 0.0002                 0.0205
 Beta2  Fr= 1--      0.0232                 0.0281                 0.0996
 AlphaG Fr= 1--     -0.0000                 0.0016                -0.0063
 Gamma2 Fr= 1--     -0.1686                 0.1135                -0.7689
 Delta2 Fr= 1--      0.1937                 0.2119                -0.2355
 Raman1 Fr= 1--       0.908                  0.826                  6.478
 ROA1   Fr= 1--      -9.992                 17.675                -81.352
 CID1   Fr= 1--     -11.011                 21.406                -12.558
 Raman2 Fr= 1--       0.278                  0.337                  1.196
 ROA2   Fr= 1--      -5.597                  1.028                -16.570
 CID2   Fr= 1--     -20.139                  3.054                -13.859
 Raman3 Fr= 1--       0.556                  0.673                  2.391
 ROA3   Fr= 1--      -9.992                 17.675                -81.352
 CID3   Fr= 1--     -17.978                 26.247                -34.023
 RC180  Fr= 1--       0.225                  0.631                 -0.262
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.01     0.02  -0.00  -0.01    -0.09  -0.03   0.03
     2   6     0.00  -0.02   0.02     0.02  -0.03  -0.01    -0.09   0.01   0.13
     3   6    -0.01  -0.03  -0.00     0.00  -0.04  -0.01    -0.03   0.05   0.02
     4   6    -0.03  -0.03   0.01    -0.02  -0.03  -0.01    -0.04   0.04   0.14
     5   6    -0.03   0.00  -0.01    -0.03  -0.01   0.00    -0.04   0.00   0.04
     6   6    -0.02   0.02  -0.02    -0.01   0.01   0.01    -0.08  -0.01  -0.13
     7   6    -0.01   0.01  -0.01     0.01  -0.02  -0.00     0.03   0.01  -0.09
     8   7     0.03   0.08   0.01     0.03   0.03   0.02     0.04  -0.03  -0.13
     9   6     0.02  -0.02   0.01    -0.01   0.05  -0.02     0.24  -0.03  -0.00
    10   1    -0.28  -0.38  -0.11     0.24   0.38   0.10     0.21   0.15  -0.05
    11   1    -0.06   0.03  -0.06    -0.02  -0.02   0.02     0.06   0.01  -0.08
    12   1     0.26   0.19   0.04     0.25   0.39   0.11     0.46  -0.03  -0.14
    13   1     0.08  -0.31   0.12     0.07  -0.33   0.10     0.24  -0.07   0.27
    14   1    -0.24   0.04  -0.12    -0.36   0.17  -0.28     0.30  -0.04   0.01
    15   1    -0.04  -0.04   0.03    -0.05  -0.05  -0.04    -0.04   0.03   0.22
    16   1    -0.05   0.01  -0.01    -0.05   0.00   0.00     0.01  -0.02   0.06
    17   1    -0.02   0.03  -0.03    -0.01   0.03   0.02    -0.07  -0.02  -0.30
    18   1     0.02   0.02   0.02     0.04   0.02  -0.01    -0.11  -0.04   0.04
    19   1     0.02  -0.03   0.03     0.04  -0.04  -0.02    -0.15   0.02   0.20
    20   1     0.60   0.15  -0.25    -0.31  -0.04   0.27    -0.23  -0.05  -0.04
                      7                      8                      9
                      A                      A                      A
 Frequencies --    337.8994               412.9074               488.7767
 Red. masses --      3.4873                 2.9362                 3.0072
 Frc consts  --      0.2346                 0.2949                 0.4233
 IR Inten    --      3.2831                 0.2793                 3.0794
 RamAct Fr= 1--      1.6313                 0.0336                 4.4254
  Dep-P Fr= 1--      0.2684                 0.3563                 0.0598
  Dep-U Fr= 1--      0.4232                 0.5254                 0.1129
 Alpha2 Fr= 1--      0.0184                 0.0003                 0.0854
 Beta2  Fr= 1--      0.1151                 0.0029                 0.0833
 AlphaG Fr= 1--      0.0065                -0.0039                -0.0154
 Gamma2 Fr= 1--      0.9359                -0.2363                -0.1578
 Delta2 Fr= 1--      0.2016                -0.0274                -0.1554
 Raman1 Fr= 1--       6.525                  0.134                 17.701
 ROA1   Fr= 1--      96.296                -23.561                -20.124
 CID1   Fr= 1--      14.757               -175.505                 -1.137
 Raman2 Fr= 1--       1.381                  0.035                  0.999
 ROA2   Fr= 1--      20.849                 -5.452                 -2.545
 CID2   Fr= 1--      15.101               -154.589                 -2.546
 Raman3 Fr= 1--       2.761                  0.071                  1.999
 ROA3   Fr= 1--      96.296                -23.561                -20.124
 CID3   Fr= 1--      34.874               -334.019                -10.068
 RC180  Fr= 1--      -0.154                  0.051                 -0.774
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.11  -0.01  -0.05     0.01   0.02  -0.20    -0.08  -0.05   0.00
     2   6    -0.10   0.04  -0.12    -0.01  -0.02   0.21    -0.05   0.01   0.00
     3   6    -0.03   0.06   0.03    -0.00   0.00  -0.00     0.05   0.06  -0.02
     4   6    -0.04   0.09  -0.13     0.01   0.02  -0.21    -0.03   0.10   0.01
     5   6    -0.04   0.02  -0.05    -0.00  -0.03   0.21    -0.04   0.03   0.02
     6   6    -0.10  -0.04   0.12     0.00   0.00  -0.00    -0.11  -0.03  -0.03
     7   6     0.04  -0.00   0.12    -0.00   0.00  -0.00     0.17  -0.12  -0.02
     8   7     0.26  -0.04  -0.05     0.00   0.00  -0.00     0.05  -0.03   0.21
     9   6     0.02  -0.07   0.12    -0.00  -0.00   0.00     0.04   0.03  -0.18
    10   1     0.55  -0.06   0.10    -0.02  -0.03  -0.01    -0.26  -0.02   0.05
    11   1     0.07  -0.01   0.14    -0.01   0.00  -0.00     0.24  -0.12  -0.06
    12   1     0.08  -0.10   0.07    -0.00  -0.01  -0.00    -0.21   0.16   0.07
    13   1     0.03  -0.17   0.13    -0.00  -0.00   0.00     0.02   0.18  -0.41
    14   1    -0.06  -0.09   0.20     0.01  -0.01   0.01     0.09   0.09  -0.40
    15   1    -0.03   0.10  -0.22     0.02   0.05  -0.45    -0.05   0.08   0.03
    16   1     0.02   0.00  -0.08    -0.01  -0.05   0.44     0.05  -0.01   0.04
    17   1    -0.10  -0.10   0.29     0.00   0.00  -0.02    -0.11  -0.05  -0.05
    18   1    -0.12  -0.02  -0.08     0.01   0.05  -0.46    -0.07  -0.04   0.03
    19   1    -0.16   0.08  -0.20    -0.01  -0.05   0.45    -0.16   0.05   0.03
    20   1     0.22  -0.03  -0.08     0.01   0.01  -0.02     0.27  -0.06   0.30
                     10                     11                     12
                      A                      A                      A
 Frequencies --    551.0679               598.3501               638.6372
 Red. masses --      2.8614                 3.0079                 6.3589
 Frc consts  --      0.5120                 0.6345                 1.5281
 IR Inten    --     20.9867                 8.0942                 0.0177
 RamAct Fr= 1--      0.2025                 1.4783                 4.3534
  Dep-P Fr= 1--      0.4500                 0.7253                 0.7322
  Dep-U Fr= 1--      0.6206                 0.8408                 0.8454
 Alpha2 Fr= 1--      0.0012                 0.0006                 0.0013
 Beta2  Fr= 1--      0.0209                 0.2072                 0.6134
 AlphaG Fr= 1--      0.0018                -0.0012                -0.0021
 Gamma2 Fr= 1--      0.0246                 0.2658                -0.0151
 Delta2 Fr= 1--     -0.0072                 0.1365                -0.0175
 Raman1 Fr= 1--       0.810                  5.913                 17.414
 ROA1   Fr= 1--       2.137                 29.889                 -2.010
 CID1   Fr= 1--       2.639                  5.054                 -0.115
 Raman2 Fr= 1--       0.251                  2.486                  7.361
 ROA2   Fr= 1--       0.649                  5.289                 -0.222
 CID2   Fr= 1--       2.581                  2.127                 -0.030
 Raman3 Fr= 1--       0.503                  4.972                 14.722
 ROA3   Fr= 1--       2.137                 29.889                 -2.010
 CID3   Fr= 1--       4.251                  6.012                 -0.137
 RC180  Fr= 1--       0.241                  0.682                  0.691
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.02  -0.13     0.01  -0.09  -0.02     0.29  -0.21  -0.02
     2   6    -0.00   0.01   0.06     0.04  -0.17  -0.01     0.21   0.22   0.03
     3   6    -0.01  -0.03   0.26     0.16  -0.03   0.03    -0.00   0.13   0.02
     4   6    -0.00  -0.00   0.06    -0.01   0.01   0.01    -0.27   0.17   0.01
     5   6     0.01   0.01  -0.13    -0.06   0.08  -0.01    -0.22  -0.26  -0.04
     6   6     0.00  -0.02   0.19    -0.16   0.00   0.02     0.00  -0.14  -0.02
     7   6    -0.01  -0.03  -0.06     0.16   0.23   0.04     0.01   0.04   0.01
     8   7    -0.06   0.02  -0.01    -0.04  -0.01  -0.02    -0.01   0.02  -0.02
     9   6     0.07   0.00  -0.08    -0.00   0.01   0.01    -0.01   0.01   0.03
    10   1    -0.19   0.02  -0.08    -0.22  -0.09  -0.10    -0.02   0.00  -0.02
    11   1     0.03  -0.01  -0.14     0.14   0.21   0.10     0.04   0.03   0.01
    12   1     0.15   0.05  -0.09    -0.08  -0.15  -0.07    -0.00  -0.02   0.00
    13   1     0.05   0.06   0.08     0.05  -0.17  -0.28    -0.00  -0.01   0.01
    14   1     0.18   0.02  -0.18    -0.25  -0.06   0.32    -0.03  -0.00   0.08
    15   1     0.02   0.04  -0.26    -0.18  -0.12  -0.05    -0.15   0.26   0.03
    16   1     0.02   0.05  -0.49     0.01   0.06  -0.05    -0.06  -0.33  -0.03
    17   1     0.00  -0.03   0.20    -0.16   0.02   0.00    -0.06   0.29   0.04
    18   1     0.00   0.05  -0.49     0.17   0.04  -0.06     0.18  -0.30  -0.02
    19   1     0.01   0.04  -0.24    -0.04  -0.13  -0.04     0.05   0.28   0.04
    20   1    -0.05   0.01   0.01    -0.41   0.04  -0.24    -0.04   0.03  -0.06
                     13                     14                     15
                      A                      A                      A
 Frequencies --    712.2166               764.0481               778.7930
 Red. masses --      1.6891                 3.4832                 1.9567
 Frc consts  --      0.5048                 1.1980                 0.6992
 IR Inten    --     50.6057                25.9129                20.2511
 RamAct Fr= 1--      0.0387                11.3709                 1.1050
  Dep-P Fr= 1--      0.2087                 0.0137                 0.3820
  Dep-U Fr= 1--      0.3453                 0.0271                 0.5528
 Alpha2 Fr= 1--      0.0005                 0.2447                 0.0087
 Beta2  Fr= 1--      0.0022                 0.0514                 0.1018
 AlphaG Fr= 1--     -0.0000                -0.0216                -0.0117
 Gamma2 Fr= 1--      0.0100                 0.5218                 0.0674
 Delta2 Fr= 1--      0.0021                 0.0473                 0.0071
 Raman1 Fr= 1--       0.155                 45.483                  4.420
 ROA1   Fr= 1--       1.023                 51.601                  6.695
 CID1   Fr= 1--       6.617                  1.135                  1.515
 Raman2 Fr= 1--       0.027                  0.616                  1.222
 ROA2   Fr= 1--       0.222                 12.144                  1.560
 CID2   Fr= 1--       8.314                 19.707                  1.277
 Raman3 Fr= 1--       0.053                  1.232                  2.443
 ROA3   Fr= 1--       1.023                 51.601                  6.695
 CID3   Fr= 1--      19.161                 41.870                  2.740
 RC180  Fr= 1--      -0.309                 -0.946                  0.106
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.02  -0.14     0.08  -0.15  -0.01    -0.01   0.01   0.01
     2   6    -0.00  -0.01   0.07     0.08  -0.12  -0.03    -0.00   0.02  -0.08
     3   6     0.00   0.01  -0.09     0.10   0.01   0.05    -0.01  -0.03   0.22
     4   6    -0.00  -0.01   0.06     0.04   0.18  -0.01    -0.00  -0.01  -0.09
     5   6     0.00   0.02  -0.14     0.07   0.18   0.03    -0.01  -0.02   0.01
     6   6    -0.00  -0.01   0.07    -0.16  -0.02  -0.03     0.02   0.02  -0.13
     7   6     0.00  -0.00   0.00    -0.12  -0.15  -0.03     0.00   0.02   0.00
     8   7    -0.00  -0.00  -0.00    -0.08   0.04  -0.08     0.01   0.00   0.01
     9   6     0.00   0.00   0.00    -0.07  -0.02   0.08     0.02  -0.01  -0.05
    10   1     0.05   0.03   0.02     0.21   0.15   0.05    -0.14  -0.04  -0.06
    11   1    -0.01  -0.00   0.02    -0.08  -0.12  -0.14     0.03   0.03  -0.04
    12   1    -0.02  -0.01   0.00     0.04   0.12   0.13     0.09  -0.01  -0.09
    13   1     0.00  -0.01  -0.03    -0.12   0.16   0.41     0.02   0.00   0.03
    14   1    -0.03  -0.00   0.02     0.18   0.03  -0.18     0.07  -0.01  -0.05
    15   1    -0.02  -0.06   0.51    -0.03   0.12   0.03    -0.00  -0.02   0.00
    16   1    -0.01  -0.03   0.22     0.30   0.08   0.12    -0.05  -0.06   0.50
    17   1    -0.02  -0.07   0.56    -0.15  -0.06   0.09    -0.00  -0.06   0.56
    18   1    -0.01  -0.03   0.21     0.25  -0.02   0.11    -0.03  -0.06   0.52
    19   1    -0.02  -0.06   0.50    -0.04  -0.08  -0.00     0.00   0.00   0.01
    20   1     0.04  -0.00   0.02     0.33   0.01   0.10    -0.15   0.01  -0.05
                     16                     17                     18
                      A                      A                      A
 Frequencies --    852.3730               871.8380               916.5275
 Red. masses --      1.2717                 1.6578                 1.7408
 Frc consts  --      0.5444                 0.7424                 0.8616
 IR Inten    --     11.7229               181.8486                 1.1431
 RamAct Fr= 1--      1.6259                 4.6780                 3.8410
  Dep-P Fr= 1--      0.6099                 0.1297                 0.5422
  Dep-U Fr= 1--      0.7577                 0.2296                 0.7031
 Alpha2 Fr= 1--      0.0042                 0.0761                 0.0153
 Beta2  Fr= 1--      0.2053                 0.1790                 0.4501
 AlphaG Fr= 1--      0.0019                 0.0578                 0.0050
 Gamma2 Fr= 1--     -0.1425                -0.5866                 1.1286
 Delta2 Fr= 1--      0.1215                -0.0269                -0.3593
 Raman1 Fr= 1--       6.504                 18.712                 15.364
 ROA1   Fr= 1--      -9.791                -57.175                 96.846
 CID1   Fr= 1--      -1.505                 -3.055                  6.303
 Raman2 Fr= 1--       2.464                  2.149                  5.401
 ROA2   Fr= 1--      -4.391                -13.863                 29.960
 CID2   Fr= 1--      -1.782                 -6.452                  5.547
 Raman3 Fr= 1--       4.928                  4.297                 10.803
 ROA3   Fr= 1--      -9.791                -57.175                 96.846
 CID3   Fr= 1--      -1.987                -13.305                  8.965
 RC180  Fr= 1--       0.515                 -0.541                  0.406
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00   0.07     0.02  -0.02   0.02    -0.03   0.03  -0.00
     2   6    -0.00  -0.01   0.07     0.00  -0.01   0.02    -0.01   0.01   0.08
     3   6    -0.00  -0.00   0.02    -0.00   0.00  -0.04     0.02   0.01  -0.05
     4   6     0.00   0.00  -0.09     0.00   0.03  -0.00    -0.01  -0.03   0.07
     5   6    -0.00   0.00  -0.06     0.02   0.04  -0.03    -0.01  -0.03  -0.02
     6   6     0.00   0.00   0.00    -0.01  -0.01   0.01     0.01   0.01  -0.07
     7   6     0.01   0.01   0.01    -0.07  -0.01  -0.07     0.10  -0.06  -0.04
     8   7    -0.04  -0.00  -0.01     0.17  -0.01   0.07    -0.01   0.04  -0.06
     9   6     0.01   0.00  -0.01    -0.06   0.00   0.02    -0.02  -0.02   0.14
    10   1     0.12   0.04   0.06    -0.55  -0.16  -0.25    -0.16   0.07  -0.14
    11   1     0.02  -0.00   0.04    -0.09  -0.01  -0.09     0.14  -0.03  -0.15
    12   1    -0.01  -0.01  -0.00     0.11   0.01  -0.07    -0.23   0.14   0.39
    13   1     0.02  -0.01  -0.06    -0.09   0.06   0.30    -0.04   0.10  -0.03
    14   1    -0.03   0.00   0.01     0.10  -0.01  -0.01    -0.02   0.05  -0.10
    15   1    -0.01  -0.06   0.52    -0.02  -0.00   0.14     0.00   0.02  -0.39
    16   1    -0.03  -0.06   0.44     0.06  -0.00   0.16    -0.04  -0.03   0.07
    17   1     0.00   0.01  -0.01    -0.01  -0.01  -0.05    -0.00  -0.07   0.46
    18   1     0.01   0.06  -0.46     0.04   0.01  -0.16    -0.07   0.01  -0.01
    19   1     0.02   0.06  -0.49    -0.00   0.01  -0.10     0.01   0.07  -0.43
    20   1     0.13  -0.00   0.02    -0.56  -0.01  -0.06    -0.08   0.03  -0.03
                     19                     20                     21
                      A                      A                      A
 Frequencies --    927.3685               957.6200               973.8325
 Red. masses --      1.6496                 1.3590                 1.2313
 Frc consts  --      0.8359                 0.7343                 0.6880
 IR Inten    --      1.5719                 0.4671                 0.1439
 RamAct Fr= 1--      2.4590                 0.0991                 0.0173
  Dep-P Fr= 1--      0.6733                 0.7446                 0.6587
  Dep-U Fr= 1--      0.8047                 0.8536                 0.7943
 Alpha2 Fr= 1--      0.0033                 0.0000                 0.0000
 Beta2  Fr= 1--      0.3298                 0.0141                 0.0023
 AlphaG Fr= 1--     -0.0050                 0.0009                -0.0019
 Gamma2 Fr= 1--     -1.9140                 0.1549                 0.2028
 Delta2 Fr= 1--      0.1335                -0.0876                -0.1038
 Raman1 Fr= 1--       9.836                  0.396                  0.069
 ROA1   Fr= 1--    -179.469                 12.065                 16.148
 CID1   Fr= 1--     -18.246                 30.435                232.956
 Raman2 Fr= 1--       3.958                  0.169                  0.028
 ROA2   Fr= 1--     -47.004                  4.418                  5.697
 CID2   Fr= 1--     -11.877                 26.112                206.952
 Raman3 Fr= 1--       7.915                  0.338                  0.055
 ROA3   Fr= 1--    -179.469                 12.065                 16.148
 CID3   Fr= 1--     -22.674                 35.656                293.299
 RC180  Fr= 1--       0.609                  0.707                  0.589
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.03  -0.01     0.00  -0.01   0.08     0.00   0.01  -0.08
     2   6     0.00  -0.03   0.08     0.00   0.01  -0.08    -0.00  -0.00   0.04
     3   6    -0.03   0.00  -0.07    -0.00   0.00   0.00    -0.00  -0.00   0.00
     4   6    -0.00   0.01   0.08    -0.00  -0.01   0.09    -0.00  -0.00   0.03
     5   6     0.02   0.03   0.00     0.00   0.01  -0.10     0.00   0.01  -0.07
     6   6    -0.01   0.01  -0.07    -0.00  -0.00   0.00    -0.00  -0.01   0.08
     7   6    -0.09   0.04   0.01    -0.00   0.00   0.01    -0.00   0.00  -0.00
     8   7     0.02  -0.05   0.07    -0.01   0.00   0.00    -0.00  -0.00   0.00
     9   6     0.01   0.04  -0.09     0.01  -0.00  -0.01     0.00   0.00  -0.00
    10   1     0.18  -0.06   0.15     0.05  -0.01   0.03     0.02  -0.00   0.01
    11   1    -0.18   0.00   0.20    -0.01   0.01  -0.00    -0.01  -0.00   0.01
    12   1     0.17  -0.15  -0.35    -0.00  -0.00  -0.00     0.00  -0.01  -0.01
    13   1     0.04  -0.13  -0.02     0.01  -0.01  -0.02     0.00  -0.01  -0.01
    14   1    -0.05  -0.04   0.19     0.01  -0.00  -0.02    -0.01  -0.00   0.01
    15   1     0.03   0.08  -0.38     0.02   0.05  -0.49     0.01   0.03  -0.24
    16   1     0.05   0.02  -0.03    -0.02  -0.06   0.56    -0.02  -0.05   0.47
    17   1    -0.02  -0.04   0.45    -0.00   0.01  -0.03     0.02   0.06  -0.53
    18   1     0.06  -0.01  -0.01     0.02   0.05  -0.46    -0.02  -0.07   0.55
    19   1     0.02   0.03  -0.43    -0.02  -0.05   0.43     0.01   0.04  -0.33
    20   1     0.15  -0.05   0.08     0.03   0.01  -0.01     0.03  -0.00   0.01
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1010.5476              1023.9451              1041.0364
 Red. masses --      1.4134                 4.7221                 1.9037
 Frc consts  --      0.8504                 2.9170                 1.2156
 IR Inten    --      2.6104                 1.7153                30.6733
 RamAct Fr= 1--      3.4827                59.0225                 7.4681
  Dep-P Fr= 1--      0.6416                 0.0419                 0.1218
  Dep-U Fr= 1--      0.7817                 0.0804                 0.2172
 Alpha2 Fr= 1--      0.0068                 1.1886                 0.1239
 Beta2  Fr= 1--      0.4537                 0.7909                 0.2703
 AlphaG Fr= 1--     -0.0178                -0.0271                -0.0496
 Gamma2 Fr= 1--      0.7564                 0.6654                 0.9107
 Delta2 Fr= 1--     -0.1781                 0.1803                 1.2061
 Raman1 Fr= 1--      13.931                236.090                 29.872
 ROA1   Fr= 1--      66.917                 69.645                126.026
 CID1   Fr= 1--       4.804                  0.295                  4.219
 Raman2 Fr= 1--       5.445                  9.490                  3.244
 ROA2   Fr= 1--      19.579                 14.527                 12.209
 CID2   Fr= 1--       3.596                  1.531                  3.764
 Raman3 Fr= 1--      10.890                 18.981                  6.488
 ROA3   Fr= 1--      66.917                 69.645                126.026
 CID3   Fr= 1--       6.145                  3.669                 19.425
 RC180  Fr= 1--       0.563                 -0.839                 -0.566
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.02   0.00    -0.01   0.03   0.00    -0.04   0.07   0.01
     2   6     0.01   0.03  -0.01    -0.12  -0.29  -0.04    -0.02  -0.10  -0.01
     3   6     0.02  -0.01   0.03    -0.02  -0.03   0.02     0.07   0.05  -0.01
     4   6     0.01  -0.01  -0.01    -0.20   0.29   0.02    -0.00   0.02   0.01
     5   6    -0.00  -0.02  -0.00    -0.00  -0.01  -0.00    -0.04  -0.13  -0.02
     6   6    -0.03  -0.01   0.00     0.31   0.03   0.01     0.02   0.03   0.00
     7   6     0.06  -0.06  -0.09     0.01  -0.06   0.00     0.05   0.09  -0.05
     8   7     0.00  -0.02  -0.03     0.01   0.03  -0.03    -0.02  -0.06   0.05
     9   6    -0.05   0.10   0.05     0.05   0.03   0.02    -0.12  -0.01  -0.01
    10   1    -0.29   0.29  -0.21    -0.17   0.06  -0.12     0.19   0.01   0.13
    11   1     0.03  -0.14   0.24    -0.20  -0.07   0.17     0.33   0.10  -0.25
    12   1     0.10  -0.18  -0.25    -0.11  -0.07   0.04     0.24   0.08  -0.14
    13   1     0.01  -0.17   0.10     0.09  -0.11  -0.28    -0.18   0.15   0.56
    14   1    -0.17  -0.02   0.49    -0.17   0.01   0.15     0.26  -0.03  -0.09
    15   1     0.02  -0.01  -0.00    -0.15   0.34   0.03     0.10   0.10  -0.01
    16   1     0.01  -0.03   0.02     0.06  -0.02   0.01    -0.05  -0.13  -0.02
    17   1    -0.02  -0.04  -0.03     0.33  -0.02  -0.00     0.00   0.14   0.02
    18   1    -0.04   0.02  -0.01    -0.01   0.02   0.00     0.08   0.17   0.02
    19   1     0.03   0.02   0.08    -0.06  -0.33  -0.01     0.00  -0.11  -0.02
    20   1     0.28  -0.12   0.37    -0.05   0.00   0.04     0.21  -0.05   0.06
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1056.8309              1106.9925              1139.3551
 Red. masses --      1.9794                 1.5828                 2.4610
 Frc consts  --      1.3025                 1.1428                 1.8822
 IR Inten    --      0.3809                 8.7004                 7.4261
 RamAct Fr= 1--     15.4543                 1.4900                 5.4762
  Dep-P Fr= 1--      0.0342                 0.1112                 0.6491
  Dep-U Fr= 1--      0.0660                 0.2001                 0.7872
 Alpha2 Fr= 1--      0.3170                 0.0254                 0.0099
 Beta2  Fr= 1--      0.1701                 0.0497                 0.7185
 AlphaG Fr= 1--      0.0045                 0.0167                 0.0432
 Gamma2 Fr= 1--     -0.8050                 0.2595                -2.4813
 Delta2 Fr= 1--     -0.4758                 0.1238                -0.4913
 Raman1 Fr= 1--      61.817                  5.960                 21.905
 ROA1   Fr= 1--     -92.511                 28.873               -253.923
 CID1   Fr= 1--      -1.497                  4.844                -11.592
 Raman2 Fr= 1--       2.041                  0.596                  8.622
 ROA2   Fr= 1--     -15.514                  5.237                -55.620
 CID2   Fr= 1--      -7.600                  8.783                 -6.451
 Raman3 Fr= 1--       4.083                  1.193                 17.243
 ROA3   Fr= 1--     -92.511                 28.873               -253.923
 CID3   Fr= 1--     -22.659                 24.211                -14.726
 RC180  Fr= 1--      -0.868                 -0.600                  0.574
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.16   0.02     0.08  -0.05  -0.00    -0.01   0.00   0.00
     2   6     0.07  -0.03   0.00    -0.10  -0.05  -0.01    -0.02  -0.00   0.01
     3   6    -0.01  -0.02  -0.00    -0.06   0.04   0.01     0.07   0.02  -0.05
     4   6     0.03   0.07   0.01     0.11  -0.02  -0.00     0.03  -0.01   0.01
     5   6     0.02  -0.14  -0.02    -0.03  -0.05  -0.01    -0.03  -0.02  -0.00
     6   6    -0.14  -0.03  -0.01    -0.03   0.08   0.01     0.01   0.01  -0.00
     7   6    -0.04  -0.03   0.04    -0.02  -0.01  -0.02     0.05  -0.10   0.26
     8   7     0.01   0.03  -0.01     0.02  -0.00  -0.01    -0.02   0.10  -0.10
     9   6     0.05  -0.00  -0.01     0.03   0.00   0.02    -0.05  -0.03  -0.12
    10   1    -0.05  -0.05  -0.03    -0.09   0.04  -0.07    -0.28   0.09  -0.22
    11   1    -0.19  -0.03   0.10    -0.01  -0.03   0.04     0.07  -0.16   0.51
    12   1    -0.08  -0.02   0.04    -0.09  -0.01   0.08     0.27  -0.01  -0.28
    13   1     0.06  -0.05  -0.20     0.05  -0.03  -0.16    -0.07   0.00   0.29
    14   1    -0.07   0.01  -0.02    -0.08   0.02   0.01     0.28  -0.07  -0.14
    15   1     0.27   0.26   0.04     0.45   0.24   0.05     0.03  -0.01  -0.04
    16   1     0.39  -0.30  -0.02    -0.19   0.01  -0.00    -0.14   0.02  -0.01
    17   1    -0.15  -0.08  -0.02    -0.10   0.53   0.06     0.00   0.09   0.02
    18   1     0.21   0.36   0.05     0.31   0.11   0.03    -0.04  -0.02  -0.01
    19   1     0.40  -0.15  -0.01    -0.41   0.06   0.01    -0.17   0.07  -0.06
    20   1    -0.15   0.04  -0.08     0.01  -0.03   0.08    -0.14   0.09  -0.05
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1184.4601              1205.1907              1213.7678
 Red. masses --      1.1162                 1.1708                 2.1272
 Frc consts  --      0.9226                 1.0020                 1.8464
 IR Inten    --      0.1795                 0.0201                 3.6702
 RamAct Fr= 1--      4.1550                 7.1190                14.1121
  Dep-P Fr= 1--      0.7420                 0.3016                 0.0897
  Dep-U Fr= 1--      0.8519                 0.4634                 0.1646
 Alpha2 Fr= 1--      0.0006                 0.0727                 0.2534
 Beta2  Fr= 1--      0.5900                 0.5499                 0.3871
 AlphaG Fr= 1--      0.0009                 0.0347                 0.0577
 Gamma2 Fr= 1--     -0.0145                -0.0777                 0.1818
 Delta2 Fr= 1--      0.0321                 0.0549                 0.1658
 Raman1 Fr= 1--      16.620                 28.476                 56.448
 ROA1   Fr= 1--      -0.367                 -5.698                 22.760
 CID1   Fr= 1--      -0.022                 -0.200                  0.403
 Raman2 Fr= 1--       7.079                  6.598                  4.645
 ROA2   Fr= 1--      -0.606                 -2.303                  3.037
 CID2   Fr= 1--      -0.086                 -0.349                  0.654
 Raman3 Fr= 1--      14.159                 13.197                  9.291
 ROA3   Fr= 1--      -0.367                 -5.698                 22.760
 CID3   Fr= 1--      -0.026                 -0.432                  2.450
 RC180  Fr= 1--       0.704                 -0.073                 -0.671
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.03  -0.00    -0.02  -0.04  -0.01    -0.07   0.03   0.00
     2   6     0.01  -0.01  -0.00     0.05  -0.03  -0.00     0.03   0.02   0.00
     3   6     0.01   0.00   0.00    -0.06  -0.00  -0.00     0.24  -0.01   0.01
     4   6    -0.00  -0.01  -0.00     0.03   0.03   0.00     0.07   0.04   0.01
     5   6     0.04  -0.02  -0.00    -0.03   0.04   0.00    -0.09  -0.05  -0.01
     6   6    -0.01   0.07   0.01    -0.01  -0.00  -0.00     0.01   0.00   0.00
     7   6    -0.01  -0.00   0.00     0.02   0.02   0.01    -0.08  -0.08  -0.04
     8   7     0.00   0.00  -0.00     0.00  -0.00  -0.01    -0.01   0.01   0.03
     9   6     0.00   0.00  -0.00    -0.01  -0.01  -0.00     0.02   0.04   0.00
    10   1    -0.00  -0.00  -0.00    -0.05   0.04  -0.03     0.19  -0.18   0.15
    11   1    -0.01  -0.01   0.01     0.10   0.01   0.03    -0.45   0.00  -0.16
    12   1    -0.01  -0.00   0.00     0.02   0.02   0.01    -0.07  -0.07  -0.03
    13   1     0.00  -0.00  -0.01    -0.01   0.02   0.01     0.04  -0.08  -0.05
    14   1    -0.01   0.00   0.00     0.04  -0.00  -0.04    -0.14   0.01   0.13
    15   1    -0.13  -0.10  -0.02     0.41   0.32   0.05     0.12   0.07   0.02
    16   1     0.43  -0.17  -0.01    -0.39   0.18   0.01    -0.45   0.08  -0.01
    17   1    -0.10   0.66   0.07    -0.01  -0.03  -0.00    -0.00   0.07   0.01
    18   1    -0.40  -0.31  -0.05    -0.31  -0.27  -0.04    -0.36  -0.18  -0.03
    19   1     0.16  -0.07  -0.00     0.54  -0.22  -0.01    -0.21   0.12   0.01
    20   1    -0.00   0.00   0.00     0.02  -0.02   0.04    -0.15   0.07  -0.19
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1267.1470              1309.0859              1354.1959
 Red. masses --      1.7513                 2.2104                 2.3234
 Frc consts  --      1.6568                 2.2319                 2.5104
 IR Inten    --     10.6710                 8.1742                 1.4248
 RamAct Fr= 1--      9.7125                 1.1874                 1.4647
  Dep-P Fr= 1--      0.0714                 0.7211                 0.6616
  Dep-U Fr= 1--      0.1333                 0.8380                 0.7963
 Alpha2 Fr= 1--      0.1823                 0.0006                 0.0023
 Beta2  Fr= 1--      0.2157                 0.1658                 0.1944
 AlphaG Fr= 1--     -0.0854                 0.0041                -0.0009
 Gamma2 Fr= 1--     -1.1607                 1.1696                 0.4860
 Delta2 Fr= 1--      0.1323                -0.2855                -0.6527
 Raman1 Fr= 1--      38.850                  4.750                  5.859
 ROA1   Fr= 1--    -107.198                103.146                 25.771
 CID1   Fr= 1--      -2.759                 21.716                  4.399
 Raman2 Fr= 1--       2.589                  1.990                  2.333
 ROA2   Fr= 1--     -28.916                 30.354                 16.886
 CID2   Fr= 1--     -11.170                 15.253                  7.238
 Raman3 Fr= 1--       5.178                  3.980                  4.666
 ROA3   Fr= 1--    -107.198                103.146                 25.771
 CID3   Fr= 1--     -20.704                 25.915                  5.524
 RC180  Fr= 1--      -0.733                  0.676                  0.593
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.01   0.00    -0.08  -0.07  -0.01    -0.09  -0.06  -0.01
     2   6     0.04  -0.02  -0.00     0.06  -0.06  -0.00     0.17  -0.04  -0.00
     3   6     0.09   0.05   0.01     0.01   0.21   0.01    -0.03   0.04   0.01
     4   6    -0.00  -0.01   0.00    -0.03  -0.06  -0.01    -0.15  -0.09  -0.01
     5   6    -0.01  -0.03  -0.00     0.07  -0.06  -0.00     0.11  -0.03   0.00
     6   6     0.01   0.01   0.00    -0.00   0.07   0.01    -0.02   0.17   0.02
     7   6    -0.13   0.13  -0.02    -0.12  -0.08   0.03     0.06   0.00  -0.02
     8   7     0.04  -0.05  -0.03     0.02   0.04  -0.00    -0.00  -0.00   0.01
     9   6     0.05  -0.10   0.01     0.05   0.06  -0.00    -0.02  -0.01   0.01
    10   1    -0.24   0.22  -0.19    -0.00  -0.10   0.01     0.03  -0.01   0.02
    11   1    -0.09  -0.01   0.50     0.59  -0.12  -0.22    -0.35   0.03   0.10
    12   1    -0.09   0.10   0.24    -0.09  -0.13  -0.08     0.04   0.03   0.00
    13   1    -0.01   0.20  -0.13     0.08  -0.12  -0.12    -0.02  -0.02   0.01
    14   1    -0.00   0.01  -0.32    -0.15   0.03   0.14     0.09  -0.01  -0.03
    15   1    -0.14  -0.12  -0.03    -0.24  -0.22  -0.03     0.41   0.35   0.06
    16   1    -0.12   0.01  -0.01    -0.31   0.09  -0.00     0.13  -0.03   0.00
    17   1     0.01  -0.06  -0.01     0.01  -0.05  -0.01     0.05  -0.34  -0.04
    18   1    -0.05  -0.00  -0.00     0.20   0.14   0.02    -0.09  -0.06  -0.01
    19   1    -0.01   0.01   0.00     0.24  -0.14  -0.02    -0.49   0.22   0.02
    20   1     0.25  -0.16   0.39    -0.09   0.03  -0.03    -0.03   0.02  -0.06
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1379.4214              1400.4956              1410.4182
 Red. masses --      1.4056                 1.2045                 1.2753
 Frc consts  --      1.5758                 1.3920                 1.4948
 IR Inten    --      3.0787                 3.2215                 7.9655
 RamAct Fr= 1--      3.7313                 3.0299                 2.0653
  Dep-P Fr= 1--      0.4344                 0.6030                 0.6811
  Dep-U Fr= 1--      0.6057                 0.7523                 0.8103
 Alpha2 Fr= 1--      0.0243                 0.0082                 0.0025
 Beta2  Fr= 1--      0.3766                 0.3799                 0.2789
 AlphaG Fr= 1--      0.0211                 0.0050                 0.0031
 Gamma2 Fr= 1--     -1.3886                 1.6779                 0.4206
 Delta2 Fr= 1--     -0.6598                 0.6074                 0.2530
 Raman1 Fr= 1--      14.925                 12.120                  8.261
 ROA1   Fr= 1--    -154.425                180.517                 48.473
 CID1   Fr= 1--     -10.347                 14.895                  5.868
 Raman2 Fr= 1--       4.520                  4.559                  3.347
 ROA2   Fr= 1--     -28.049                 35.411                  8.070
 CID2   Fr= 1--      -6.206                  7.767                  2.411
 Raman3 Fr= 1--       9.039                  9.118                  6.694
 ROA3   Fr= 1--    -154.425                180.517                 48.473
 CID3   Fr= 1--     -17.084                 19.798                  7.241
 RC180  Fr= 1--       0.211                  0.505                  0.621
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.04  -0.01     0.03   0.02   0.00    -0.01  -0.01  -0.00
     2   6    -0.02   0.01  -0.00     0.00  -0.01  -0.00     0.00   0.01   0.00
     3   6    -0.03   0.07   0.02     0.00  -0.03   0.00    -0.01   0.01  -0.01
     4   6     0.01   0.01   0.00    -0.00  -0.01  -0.00    -0.01  -0.00   0.00
     5   6     0.05  -0.02  -0.00    -0.04   0.02   0.00     0.02  -0.00   0.00
     6   6     0.00  -0.01  -0.00     0.00   0.01   0.00    -0.00   0.00  -0.00
     7   6     0.09  -0.02  -0.10    -0.04  -0.00  -0.07     0.01   0.01   0.07
     8   7    -0.02   0.02   0.03    -0.01   0.04   0.02     0.01  -0.03  -0.02
     9   6    -0.03  -0.03  -0.01     0.04  -0.01  -0.05     0.05  -0.01  -0.12
    10   1     0.16  -0.11   0.13     0.12  -0.17   0.11    -0.11   0.09  -0.09
    11   1    -0.44  -0.10   0.51     0.49  -0.22   0.45    -0.27   0.16  -0.32
    12   1    -0.02   0.09   0.09    -0.25   0.07   0.19    -0.33   0.20   0.31
    13   1    -0.05   0.05   0.15    -0.01   0.08   0.31    -0.00   0.09   0.47
    14   1     0.05  -0.04   0.02    -0.19  -0.05   0.19    -0.22  -0.12   0.41
    15   1    -0.20  -0.16  -0.01     0.13   0.09   0.01    -0.01  -0.00  -0.01
    16   1    -0.25   0.09   0.00     0.16  -0.06  -0.00    -0.05   0.03   0.00
    17   1    -0.03   0.19   0.02     0.02  -0.13  -0.01    -0.01   0.04   0.00
    18   1     0.23   0.16   0.03    -0.13  -0.10  -0.02     0.06   0.04   0.01
    19   1     0.27  -0.11   0.01    -0.13   0.04   0.01     0.05  -0.01  -0.01
    20   1    -0.09   0.08  -0.20    -0.11   0.08  -0.13     0.07  -0.07   0.13
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1490.8963              1491.9418              1496.3806
 Red. masses --      1.4810                 1.2224                 1.1326
 Frc consts  --      1.9395                 1.6031                 1.4942
 IR Inten    --      3.2431                12.5479                 1.7831
 RamAct Fr= 1--      2.3154                 3.4651                 5.1188
  Dep-P Fr= 1--      0.7451                 0.7236                 0.6884
  Dep-U Fr= 1--      0.8540                 0.8396                 0.8155
 Alpha2 Fr= 1--      0.0002                 0.0016                 0.0055
 Beta2  Fr= 1--      0.3295                 0.4849                 0.6957
 AlphaG Fr= 1--     -0.0033                 0.0020                -0.0403
 Gamma2 Fr= 1--      4.0158                -4.0948                -1.1018
 Delta2 Fr= 1--     -1.1183                 1.7554                -1.3498
 Raman1 Fr= 1--       9.261                 13.860                 20.475
 ROA1   Fr= 1--     349.734               -336.925               -148.972
 CID1   Fr= 1--      37.762                -24.308                 -7.276
 Raman2 Fr= 1--       3.954                  5.819                  8.348
 ROA2   Fr= 1--     105.326               -112.317                -15.646
 CID2   Fr= 1--      26.635                -19.303                 -1.874
 Raman3 Fr= 1--       7.909                 11.637                 16.697
 ROA3   Fr= 1--     349.734               -336.925               -148.972
 CID3   Fr= 1--      44.220                -28.952                 -8.922
 RC180  Fr= 1--       0.708                  0.679                  0.631
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09   0.01   0.00    -0.06  -0.00  -0.00     0.03  -0.00   0.00
     2   6    -0.04  -0.05  -0.01     0.04   0.02   0.00    -0.02  -0.01  -0.00
     3   6    -0.02   0.10   0.01     0.01  -0.06  -0.01    -0.01   0.04   0.00
     4   6     0.07  -0.02  -0.00    -0.04   0.02   0.00     0.02  -0.01  -0.00
     5   6    -0.08  -0.03  -0.01     0.05   0.01   0.00    -0.03  -0.01  -0.00
     6   6    -0.02   0.08   0.01     0.01  -0.05  -0.01    -0.01   0.04   0.00
     7   6    -0.00  -0.03  -0.01    -0.03  -0.00  -0.00     0.03  -0.03   0.01
     8   7     0.00   0.00  -0.00    -0.00   0.01  -0.00    -0.00   0.00   0.00
     9   6    -0.04  -0.01  -0.02    -0.02  -0.04  -0.01     0.03  -0.03   0.02
    10   1     0.01  -0.04   0.01     0.02  -0.05   0.02     0.01   0.02   0.00
    11   1    -0.15  -0.00  -0.02     0.20  -0.04  -0.02    -0.12   0.01  -0.05
    12   1     0.23   0.42   0.19     0.45   0.42   0.08     0.25  -0.15  -0.23
    13   1     0.00  -0.07  -0.28    -0.08   0.37  -0.33    -0.12   0.62   0.04
    14   1     0.31  -0.16   0.37    -0.05  -0.13   0.39    -0.60   0.08  -0.09
    15   1    -0.09  -0.15  -0.01     0.04   0.08   0.01    -0.01  -0.04  -0.01
    16   1     0.16  -0.13  -0.01    -0.14   0.09   0.01     0.08  -0.06  -0.00
    17   1     0.05  -0.39  -0.04    -0.04   0.24   0.03     0.02  -0.16  -0.02
    18   1    -0.19  -0.21  -0.03     0.09   0.12   0.02    -0.05  -0.08  -0.01
    19   1     0.06  -0.10  -0.01    -0.09   0.08   0.01     0.06  -0.05  -0.00
    20   1    -0.01  -0.01   0.03    -0.03   0.00   0.02    -0.01   0.02  -0.05
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1532.7138              1629.5175              1647.5853
 Red. masses --      2.1769                 5.3851                 5.4922
 Frc consts  --      3.0131                 8.4248                 8.7840
 IR Inten    --      8.1307                 0.6492                 3.9181
 RamAct Fr= 1--      0.1449                 8.1850                36.5097
  Dep-P Fr= 1--      0.3314                 0.7290                 0.6276
  Dep-U Fr= 1--      0.4979                 0.8433                 0.7712
 Alpha2 Fr= 1--      0.0013                 0.0029                 0.0813
 Beta2  Fr= 1--      0.0120                 1.1503                 4.6929
 AlphaG Fr= 1--     -0.0024                 0.0033                 0.0439
 Gamma2 Fr= 1--      0.2202                -0.2175                 0.4704
 Delta2 Fr= 1--     -0.0784                -0.0715                -0.1498
 Raman1 Fr= 1--       0.580                 32.740                146.039
 ROA1   Fr= 1--      18.633                -23.170                 40.365
 CID1   Fr= 1--      32.150                 -0.708                  0.276
 Raman2 Fr= 1--       0.144                 13.804                 56.315
 ROA2   Fr= 1--       5.913                 -4.649                 12.489
 CID2   Fr= 1--      40.981                 -0.337                  0.222
 Raman3 Fr= 1--       0.289                 27.608                112.629
 ROA3   Fr= 1--      18.633                -23.170                 40.365
 CID3   Fr= 1--      64.576                 -0.839                  0.358
 RC180  Fr= 1--      -0.004                  0.687                  0.542
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09  -0.12  -0.02    -0.03  -0.21  -0.02    -0.26  -0.12  -0.02
     2   6    -0.09   0.08   0.01    -0.14   0.17   0.02     0.29  -0.04   0.00
     3   6     0.13   0.03   0.01     0.06  -0.29  -0.03    -0.21  -0.04  -0.01
     4   6    -0.05  -0.11  -0.01     0.05   0.19   0.02     0.28   0.13   0.02
     5   6    -0.13   0.09   0.01     0.11  -0.19  -0.02    -0.28   0.02  -0.01
     6   6     0.10   0.02   0.01    -0.05   0.35   0.04     0.13   0.04   0.01
     7   6    -0.02  -0.01  -0.00    -0.02   0.04   0.01     0.02   0.01   0.00
     8   7    -0.00   0.00  -0.00    -0.00  -0.01   0.00     0.00  -0.01   0.01
     9   6    -0.01  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.01
    10   1     0.01  -0.02   0.01    -0.01   0.07  -0.01    -0.02   0.08  -0.01
    11   1    -0.06  -0.00   0.00     0.25  -0.01   0.01     0.03   0.00  -0.01
    12   1     0.04   0.05   0.02    -0.01  -0.00   0.01    -0.02  -0.00   0.00
    13   1    -0.00  -0.01  -0.06     0.00  -0.02  -0.00     0.00   0.01   0.03
    14   1     0.04  -0.02   0.04     0.02   0.00  -0.02    -0.02  -0.00   0.00
    15   1     0.40   0.22   0.04    -0.28  -0.06  -0.02    -0.29  -0.31  -0.04
    16   1     0.47  -0.14  -0.00    -0.24  -0.07  -0.01     0.27  -0.20  -0.01
    17   1     0.13  -0.00   0.00     0.07  -0.47  -0.05     0.16  -0.01   0.01
    18   1     0.39   0.24   0.04     0.24  -0.02   0.00     0.22   0.26   0.04
    19   1     0.43  -0.11  -0.00     0.32  -0.00   0.01    -0.31   0.21   0.02
    20   1    -0.01  -0.00   0.02     0.03   0.01  -0.05     0.02   0.02  -0.07
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1659.7761              3023.8511              3033.0129
 Red. masses --      1.0940                 1.0776                 1.0434
 Frc consts  --      1.7757                 5.8056                 5.6555
 IR Inten    --     26.8895                12.2365                26.0649
 RamAct Fr= 1--      3.3206               143.8044                90.4455
  Dep-P Fr= 1--      0.7314                 0.1030                 0.0576
  Dep-U Fr= 1--      0.8449                 0.1868                 0.1088
 Alpha2 Fr= 1--      0.0011                 2.4993                 1.7547
 Beta2  Fr= 1--      0.4676                 4.4764                 1.6408
 AlphaG Fr= 1--      0.0108                 0.5386                -0.1960
 Gamma2 Fr= 1--      0.2746                 1.4135                 0.6467
 Delta2 Fr= 1--      0.6303                -0.2521                -0.2466
 Raman1 Fr= 1--      13.282                575.218                361.782
 ROA1   Fr= 1--      46.529                127.632                 54.191
 CID1   Fr= 1--       3.503                  0.222                  0.150
 Raman2 Fr= 1--       5.611                 53.716                 19.690
 ROA2   Fr= 1--       1.547                 35.941                 17.493
 CID2   Fr= 1--       0.276                  0.669                  0.888
 Raman3 Fr= 1--      11.222                107.433                 39.380
 ROA3   Fr= 1--      46.529                127.632                 54.191
 CID3   Fr= 1--       4.146                  1.188                  1.376
 RC180  Fr= 1--       0.690                 -0.626                 -0.782
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.01   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     2   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     3   6     0.01   0.01  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     4   6    -0.01  -0.01  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     5   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     6   6    -0.00  -0.01  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     7   6    -0.03  -0.01   0.00    -0.01  -0.07  -0.02    -0.01  -0.03  -0.01
     8   7     0.01  -0.05   0.05     0.00   0.00   0.00     0.00   0.00   0.00
     9   6     0.00  -0.00  -0.01    -0.00   0.02   0.01     0.02  -0.02  -0.04
    10   1    -0.08   0.69  -0.09     0.00  -0.00   0.00     0.00   0.00   0.00
    11   1     0.05  -0.03   0.03     0.13   0.86   0.22     0.06   0.38   0.10
    12   1    -0.00   0.04   0.03    -0.05   0.07  -0.08     0.19  -0.27   0.31
    13   1     0.01  -0.01  -0.02     0.12   0.03   0.01    -0.47  -0.10  -0.03
    14   1     0.01  -0.02   0.04    -0.05  -0.39  -0.11     0.08   0.61   0.17
    15   1     0.02   0.01  -0.00    -0.01   0.01   0.00     0.01  -0.01  -0.00
    16   1     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    17   1    -0.00   0.01   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    18   1    -0.01  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    19   1     0.00  -0.00  -0.00    -0.01  -0.02  -0.00    -0.01  -0.01  -0.00
    20   1     0.14   0.16  -0.67    -0.00  -0.02  -0.01    -0.00  -0.01  -0.01
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3094.8401              3115.2295              3156.3850
 Red. masses --      1.0978                 1.1031                 1.0863
 Frc consts  --      6.1952                 6.3076                 6.3766
 IR Inten    --     30.6352                23.2187                 9.1774
 RamAct Fr= 1--     79.2724                97.4225                29.7446
  Dep-P Fr= 1--      0.3262                 0.6868                 0.2303
  Dep-U Fr= 1--      0.4919                 0.8143                 0.3743
 Alpha2 Fr= 1--      0.7506                 0.1082                 0.3723
 Beta2  Fr= 1--      6.4995                13.2218                 1.8558
 AlphaG Fr= 1--     -0.0972                 0.0513                -0.0139
 Gamma2 Fr= 1--     -2.1886                 1.4255                -0.4947
 Delta2 Fr= 1--     -7.1471                 7.1908                -0.1447
 Raman1 Fr= 1--     317.089                389.690                118.978
 ROA1   Fr= 1--    -438.817                366.950                -52.119
 CID1   Fr= 1--      -1.384                  0.942                 -0.438
 Raman2 Fr= 1--      77.994                158.661                 22.270
 ROA2   Fr= 1--       4.650                -23.316                -10.714
 CID2   Fr= 1--       0.060                 -0.147                 -0.481
 Raman3 Fr= 1--     155.987                317.323                 44.540
 ROA3   Fr= 1--    -438.817                366.950                -52.119
 CID3   Fr= 1--      -2.813                  1.156                 -1.170
 RC180  Fr= 1--      -0.016                  0.629                 -0.251
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.02   0.03   0.00
     2   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.02  -0.06  -0.01
     3   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     4   6    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.02   0.02   0.00
     5   6     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.01  -0.02  -0.00
     6   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.02   0.00   0.00
     7   6    -0.00  -0.01  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     8   7     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     9   6    -0.03  -0.08   0.01    -0.08   0.02  -0.04    -0.00   0.00  -0.00
    10   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    11   1     0.02   0.15   0.04     0.00   0.00   0.00     0.01   0.02   0.01
    12   1    -0.23   0.29  -0.37     0.30  -0.42   0.50     0.00  -0.00   0.00
    13   1     0.52   0.09   0.03     0.67   0.15   0.03     0.00   0.00  -0.00
    14   1     0.07   0.61   0.18    -0.02   0.01  -0.01    -0.00  -0.00  -0.00
    15   1     0.02  -0.02  -0.00    -0.01   0.01   0.00     0.22  -0.28  -0.02
    16   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.09   0.24   0.03
    17   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.20  -0.03  -0.01
    18   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.24  -0.31  -0.03
    19   1    -0.01  -0.01  -0.00    -0.00  -0.00  -0.00     0.28   0.72   0.09
    20   1    -0.00  -0.00  -0.01    -0.00   0.00   0.00    -0.00   0.00  -0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3158.9430              3172.4675              3180.9528
 Red. masses --      1.0866                 1.0889                 1.0931
 Frc consts  --      6.3883                 6.4568                 6.5166
 IR Inten    --      5.8521                 3.1966                31.6049
 RamAct Fr= 1--     80.8577               132.6105                45.5525
  Dep-P Fr= 1--      0.7459                 0.4628                 0.7499
  Dep-U Fr= 1--      0.8545                 0.6327                 0.8571
 Alpha2 Fr= 1--      0.0056                 0.7715                 0.0001
 Beta2  Fr= 1--     11.5152                13.9848                 6.5069
 AlphaG Fr= 1--     -0.0021                -0.0190                 0.0002
 Gamma2 Fr= 1--     -0.8757                -0.5811                 0.0967
 Delta2 Fr= 1--     -1.2885                -1.0250                 0.8000
 Raman1 Fr= 1--     323.431                530.442                182.210
 ROA1   Fr= 1--    -125.302                -88.589                 34.888
 CID1   Fr= 1--      -0.387                 -0.167                  0.191
 Raman2 Fr= 1--     138.183                167.817                 78.082
 ROA2   Fr= 1--     -10.709                 -5.747                 -4.079
 CID2   Fr= 1--      -0.078                 -0.034                 -0.052
 Raman3 Fr= 1--     276.365                335.634                156.164
 ROA3   Fr= 1--    -125.302                -88.589                 34.888
 CID3   Fr= 1--      -0.453                 -0.264                  0.223
 RC180  Fr= 1--       0.709                  0.265                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01   0.00     0.02  -0.03  -0.00     0.04  -0.04  -0.00
     2   6    -0.01  -0.04  -0.00    -0.01  -0.03  -0.00    -0.01  -0.02  -0.00
     3   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     4   6     0.04  -0.05  -0.00    -0.02   0.03   0.00     0.02  -0.02  -0.00
     5   6     0.01   0.03   0.00     0.01   0.03   0.00    -0.02  -0.05  -0.01
     6   6    -0.01  -0.00  -0.00    -0.05  -0.01  -0.00    -0.00   0.00   0.00
     7   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     8   7     0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     9   6    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    10   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    11   1     0.00   0.01   0.00     0.00   0.01   0.00     0.00   0.00   0.00
    12   1    -0.01   0.01  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    13   1     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    14   1     0.00   0.02   0.01    -0.00  -0.01  -0.00     0.00   0.01   0.00
    15   1    -0.48   0.62   0.05     0.23  -0.30  -0.03    -0.18   0.23   0.02
    16   1    -0.14  -0.36  -0.05    -0.14  -0.35  -0.05     0.24   0.60   0.08
    17   1     0.09   0.01   0.00     0.64   0.09   0.03     0.02  -0.00   0.00
    18   1     0.08  -0.10  -0.01    -0.26   0.33   0.03    -0.40   0.51   0.05
    19   1     0.16   0.41   0.05     0.12   0.30   0.04     0.09   0.22   0.03
    20   1    -0.00  -0.01  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
                     52                     53                     54
                      A                      A                      A
 Frequencies --   3193.8316              3478.1368              3555.2504
 Red. masses --      1.0973                 1.0485                 1.0929
 Frc consts  --      6.5947                 7.4732                 8.1390
 IR Inten    --     16.1824                 1.4087                 0.5000
 RamAct Fr= 1--    311.1710                87.4946                36.1672
  Dep-P Fr= 1--      0.1056                 0.0652                 0.7069
  Dep-U Fr= 1--      0.1909                 0.1225                 0.8283
 Alpha2 Fr= 1--      5.3744                 1.6665                 0.0271
 Beta2  Fr= 1--      9.9030                 1.7859                 4.9928
 AlphaG Fr= 1--     -0.0495                -0.1896                -0.0940
 Gamma2 Fr= 1--     -0.3638                -0.3628                -0.0620
 Delta2 Fr= 1--     -0.2205                -1.4253                 1.1594
 Raman1 Fr= 1--    1244.684                349.978                144.669
 ROA1   Fr= 1--     -41.985                -80.438                 31.150
 CID1   Fr= 1--      -0.034                 -0.230                  0.215
 Raman2 Fr= 1--     118.836                 21.430                 59.914
 ROA2   Fr= 1--      -6.967                  2.695                -10.762
 CID2   Fr= 1--      -0.059                  0.126                 -0.180
 Raman3 Fr= 1--     237.672                 42.861                119.828
 ROA3   Fr= 1--     -41.985                -80.438                 31.150
 CID3   Fr= 1--      -0.177                 -1.877                  0.260
 RC180  Fr= 1--      -0.618                 -0.755                  0.657
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.04   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     2   6     0.01   0.01   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     3   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     4   6     0.01  -0.01  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     5   6    -0.01  -0.04  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     6   6    -0.06  -0.01  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     7   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     8   7    -0.00   0.00  -0.00    -0.02  -0.04   0.03     0.02  -0.05  -0.06
     9   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    10   1     0.00   0.00  -0.00     0.29  -0.08  -0.60    -0.34   0.05   0.65
    11   1    -0.00  -0.00  -0.00     0.00   0.01   0.01     0.00   0.01   0.00
    12   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    13   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    14   1     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    15   1    -0.09   0.11   0.01    -0.00   0.00   0.00    -0.00   0.00   0.00
    16   1     0.16   0.42   0.05    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    17   1     0.72   0.10   0.03    -0.00   0.00   0.00    -0.00   0.00   0.00
    18   1     0.29  -0.38  -0.04    -0.00   0.00   0.00     0.00  -0.00  -0.00
    19   1    -0.05  -0.12  -0.02     0.00   0.00  -0.00     0.00   0.00   0.00
    20   1     0.00  -0.00  -0.00    -0.03   0.70   0.20     0.00   0.65   0.16

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  7 and mass  14.00307
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Molecular mass:   121.08915 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   525.114091659.442701822.33125
           X            0.99994  -0.00194  -0.01109
           Y            0.00196   1.00000   0.00193
           Z            0.01108  -0.00195   0.99994
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.16494     0.05219     0.04753
 Rotational constants (GHZ):           3.43686     1.08756     0.99035
 Zero-point vibrational energy     455728.5 (Joules/Mol)
                                  108.92173 (Kcal/Mol)
 Warning -- explicit consideration of  11 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     35.61   184.43   305.35   358.58   381.45
          (Kelvin)            453.92   486.16   594.08   703.24   792.86
                              860.89   918.86  1024.72  1099.29  1120.51
                             1226.37  1254.38  1318.68  1334.28  1377.80
                             1401.13  1453.95  1473.23  1497.82  1520.54
                             1592.72  1639.28  1704.17  1734.00  1746.34
                             1823.14  1883.48  1948.39  1984.68  2015.00
                             2029.28  2145.07  2146.57  2152.96  2205.23
                             2344.51  2370.51  2388.05  4350.65  4363.83
                             4452.78  4482.12  4541.33  4545.01  4564.47
                             4576.68  4595.21  5004.26  5115.21
 
 Zero-point correction=                           0.173578 (Hartree/Particle)
 Thermal correction to Energy=                    0.182170
 Thermal correction to Enthalpy=                  0.183114
 Thermal correction to Gibbs Free Energy=         0.139606
 Sum of electronic and zero-point Energies=           -366.227424
 Sum of electronic and thermal Energies=              -366.218832
 Sum of electronic and thermal Enthalpies=            -366.217887
 Sum of electronic and thermal Free Energies=         -366.261396
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  114.313             33.057             91.571
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.288
 Rotational               0.889              2.981             28.853
 Vibrational            112.536             27.096             22.430
 Vibration     1          0.593              1.985              6.211
 Vibration     2          0.611              1.925              2.973
 Vibration     3          0.643              1.822              2.024
 Vibration     4          0.662              1.764              1.736
 Vibration     5          0.671              1.737              1.628
 Vibration     6          0.703              1.644              1.333
 Vibration     7          0.718              1.600              1.222
 Vibration     8          0.777              1.442              0.916
 Vibration     9          0.845              1.275              0.687
 Vibration    10          0.906              1.137              0.542
 Vibration    11          0.956              1.035              0.453
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.610700D-64        -64.214172       -147.858596
 Total V=0       0.422685D+16         15.626017         35.980233
 Vib (Bot)       0.258493D-77        -77.587551       -178.651939
 Vib (Bot)    1  0.836664D+01          0.922551          2.124253
 Vib (Bot)    2  0.159113D+01          0.201706          0.464446
 Vib (Bot)    3  0.935028D+00         -0.029175         -0.067179
 Vib (Bot)    4  0.783396D+00         -0.106018         -0.244116
 Vib (Bot)    5  0.730761D+00         -0.136225         -0.313669
 Vib (Bot)    6  0.597432D+00         -0.223712         -0.515115
 Vib (Bot)    7  0.550255D+00         -0.259436         -0.597374
 Vib (Bot)    8  0.427545D+00         -0.369019         -0.849697
 Vib (Bot)    9  0.339588D+00         -0.469048         -1.080023
 Vib (Bot)   10  0.284486D+00         -0.545938         -1.257070
 Vib (Bot)   11  0.249975D+00         -0.602103         -1.386393
 Vib (V=0)       0.178911D+03          2.252638          5.186890
 Vib (V=0)    1  0.888157D+01          0.948490          2.183978
 Vib (V=0)    2  0.216784D+01          0.336028          0.773733
 Vib (V=0)    3  0.156032D+01          0.193213          0.444891
 Vib (V=0)    4  0.142936D+01          0.155142          0.357227
 Vib (V=0)    5  0.138544D+01          0.141589          0.326021
 Vib (V=0)    6  0.127905D+01          0.106889          0.246121
 Vib (V=0)    7  0.124349D+01          0.094643          0.217924
 Vib (V=0)    8  0.115787D+01          0.063660          0.146583
 Vib (V=0)    9  0.110442D+01          0.043133          0.099318
 Vib (V=0)   10  0.107527D+01          0.031516          0.072569
 Vib (V=0)   11  0.105901D+01          0.024898          0.057331
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.523735D+08          7.719112         17.773912
 Rotational      0.451094D+06          5.654267         13.019431
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3  3       333333333                                               111 1111 1111 11111111111                                    
     5  4       111111000                                               666 5444 4433 32221110000999988 77 7  65 5 4  4 33 222  1    
     5  7       987551932                                               643 3999 1075 06108305421752175 76 1  39 5 8  1 31 641  2   2
     5  8       412965534                                               080 3621 0094 97454977141487722 94 2  98 1 9  3 85 592  8   5
 
     X  X       XXXXXXXXX                                               XXX XXXX XXXX XXX XXXXXXXXXXXXX XX X   X X X  X XX XXX  X   X
                XX   XXX                                                X                     X      X  XX X     X          X        
                 X   XXX                                                X                     X      X   X X                X        
                                                                                                     X     X                         
                                                                                                     X     X                         
                                                                                                     X     X                         
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000002670    0.000007893    0.000001968
      2        6          -0.000004194   -0.000000349    0.000000855
      3        6          -0.000008447    0.000002333   -0.000002740
      4        6           0.000006527    0.000002939    0.000001733
      5        6          -0.000005445   -0.000001554    0.000000674
      6        6          -0.000003923   -0.000007472   -0.000002398
      7        6           0.000031443   -0.000013167    0.000026803
      8        7          -0.000017494    0.000008271   -0.000012223
      9        6           0.000002935   -0.000011877   -0.000012023
     10        1           0.000003000   -0.000000962   -0.000002368
     11        1          -0.000003885    0.000000095   -0.000008171
     12        1          -0.000003120    0.000002496    0.000000140
     13        1           0.000002069    0.000005182    0.000002873
     14        1          -0.000003742    0.000004462    0.000000181
     15        1           0.000000237   -0.000002108   -0.000000437
     16        1          -0.000000115   -0.000002175    0.000000825
     17        1          -0.000001199    0.000000798    0.000001933
     18        1          -0.000001813    0.000000163   -0.000000529
     19        1           0.000001794    0.000001782   -0.000000338
     20        1           0.000002700    0.000003251    0.000003243
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000031443 RMS     0.000007393
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.136523D+03 -0.221655D+00  0.890102D+00
      2  -0.221655D+00  0.108988D+03  0.259631D+01
      3   0.890102D+00  0.259631D+01  0.791126D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.701155D+00  0.305520D+01  0.168606D+01
      2   0.353911D+00  0.784534D+01 -0.169337D+02
      3  -0.468689D+01 -0.354537D+02 -0.765139D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.666287D+02  0.102477D+01 -0.105659D+01
      2  -0.126493D+02 -0.106268D+00 -0.533982D+01
      3  -0.539794D+02 -0.918500D+00  0.639642D+01
      4   0.208960D+01  0.743924D+02  0.177324D+02
      5   0.111839D+02  0.177664D+02 -0.433878D+02
      6   0.676422D+01  0.777755D+01 -0.697510D+00
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    60 ND12= 1 LenFil=    2163:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.252013D+01 -0.714548D+00 -0.272886D+00 -0.558116D+01 -0.108962D+01
      2  -0.714548D+00  0.311947D+01  0.325843D+00 -0.108962D+01 -0.499388D+00
      3  -0.272886D+00  0.325843D+00  0.189205D+01 -0.528086D+00  0.717541D+00
                 6             7             8             9            10 
      1  -0.528086D+00 -0.995680D+00 -0.435949D+00  0.295803D+01  0.555856D+01
      2   0.717541D+00 -0.435949D+00  0.106230D+01 -0.347254D+01  0.252038D+01
      3  -0.235645D+01  0.295803D+01 -0.347254D+01 -0.873111D+00  0.711757D+00
                11            12            13            14            15 
      1   0.252038D+01  0.711757D+00 -0.696139D+01 -0.195425D+00 -0.199349D-01
      2  -0.245946D+01  0.350433D-01 -0.195425D+00 -0.140738D+01  0.588335D+00
      3   0.350433D-01 -0.133458D+01 -0.199349D-01  0.588335D+00 -0.256916D+01
                16            17            18            19            20 
      1  -0.728775D+00  0.598431D+00 -0.131876D+01 -0.167571D+02 -0.128322D+01
      2   0.598431D+00  0.749244D+00 -0.383693D+01 -0.128322D+01 -0.210207D+01
      3  -0.131876D+01 -0.383693D+01 -0.148050D+01 -0.958384D-01  0.620914D-02
                21            22            23            24            25 
      1  -0.958384D-01 -0.234130D+01  0.181908D+01  0.759575D+00 -0.144579D+00
      2   0.620914D-02  0.181908D+01 -0.662377D+00 -0.644729D-01  0.538480D+00
      3  -0.250994D+01  0.759575D+00 -0.644729D-01  0.266269D+00 -0.378540D+01
                26            27            28            29            30 
      1   0.538480D+00 -0.378540D+01  0.407627D+01 -0.908724D+00  0.389668D+00
      2  -0.397875D+00 -0.425084D+00 -0.908724D+00 -0.342022D+01 -0.278440D+00
      3  -0.425084D+00 -0.164465D-01  0.389668D+00 -0.278440D+00 -0.189252D+01
                31            32            33            34            35 
      1   0.799566D+01 -0.966758D-01  0.382970D+00  0.123466D+01  0.127250D+00
      2  -0.966758D-01  0.830742D+00 -0.514372D+00  0.127250D+00 -0.832824D+00
      3   0.382970D+00 -0.514372D+00  0.182944D+01 -0.175835D+01  0.307347D+01
                36            37            38            39            40 
      1  -0.175835D+01 -0.448962D+01 -0.537189D+00 -0.337164D+00  0.547303D+01
      2   0.307347D+01 -0.537189D+00  0.196575D+01 -0.838336D-01 -0.279469D-01
      3   0.662146D+00 -0.337164D+00 -0.838336D-01  0.927310D+00 -0.119275D+00
                41            42            43            44            45 
      1  -0.279469D-01 -0.119275D+00  0.361483D+00 -0.436598D+00  0.199665D+01
      2   0.106287D+01 -0.683493D+00 -0.436598D+00 -0.775303D+00  0.399870D+01
      3  -0.683493D+00  0.275807D+01  0.199665D+01  0.399870D+01  0.135195D+01
                46            47            48            49            50 
      1   0.600990D+01  0.209802D+00 -0.983643D-01  0.620348D+00 -0.421734D+00
      2   0.209802D+00  0.324812D+01 -0.292923D-01 -0.421734D+00 -0.144152D+00
      3  -0.983643D-01 -0.292923D-01  0.344481D+01 -0.810084D+00 -0.242253D+00
                51            52            53            54            55 
      1  -0.810084D+00 -0.142115D+00 -0.675527D+00  0.545121D+01  0.228521D+01
      2  -0.242253D+00 -0.675527D+00 -0.255299D-01  0.666258D+00 -0.135531D+00
      3   0.399459D+00  0.545121D+01  0.666258D+00  0.647619D+00 -0.120241D+01
                56            57            58            59            60 
      1  -0.135531D+00 -0.120241D+01 -0.393228D+01  0.128654D+01 -0.131066D+01
      2  -0.265241D+00 -0.784792D+00  0.128654D+01  0.659053D+01  0.231912D+01
      3  -0.784792D+00  0.329828D+01 -0.131066D+01  0.231912D+01 -0.142778D+01
                61            62            63            64            65 
      1  -0.114845D+01 -0.767505D+00  0.617199D+01 -0.301551D+01  0.137443D+01
      2  -0.767505D+00  0.150452D+01 -0.250272D+00  0.137443D+01  0.665797D-01
      3   0.617199D+01 -0.250272D+00 -0.196811D+01 -0.940211D+00  0.102032D+01
                66            67            68            69            70 
      1  -0.940211D+00  0.389408D+01 -0.143042D+01  0.754488D+00 -0.225358D+01
      2   0.102032D+01 -0.143042D+01 -0.471271D+01 -0.149614D+01  0.576772D+00
      3  -0.455400D+01  0.754488D+00 -0.149614D+01  0.502031D+00 -0.534189D+01
                71            72            73            74            75 
      1   0.576772D+00 -0.534189D+01  0.858902D+01  0.217239D+01 -0.385149D+00
      2  -0.675561D+00  0.237901D+00  0.217239D+01 -0.978033D+00  0.743133D+00
      3   0.237901D+00  0.202105D+01 -0.385149D+00  0.743133D+00 -0.384555D+01
                76            77            78            79            80 
      1   0.344667D+01 -0.748167D+00  0.539637D+00  0.435195D+01  0.890702D+00
      2  -0.748167D+00 -0.384144D+01 -0.348245D+01  0.890702D+00 -0.273658D+01
      3   0.539637D+00 -0.348245D+01  0.213086D+01 -0.481620D+01  0.140472D+01
                81            82            83            84            85 
      1  -0.481620D+01 -0.228674D+00 -0.150934D+00 -0.815895D+00 -0.914714D+00
      2   0.140472D+01 -0.150934D+00  0.217502D+00 -0.199478D+00 -0.316043D-01
      3   0.930286D+00 -0.815895D+00 -0.199478D+00  0.294130D+01  0.784613D-01
                86            87            88            89            90 
      1  -0.316043D-01  0.784613D-01 -0.168105D+01  0.558272D-01  0.123284D+01
      2   0.105884D+00 -0.811310D+00  0.558272D-01 -0.109783D+01  0.586924D+00
      3  -0.811310D+00 -0.394396D+00  0.123284D+01  0.586924D+00 -0.773710D+01
                91            92            93            94            95 
      1  -0.123185D-01 -0.139789D+01 -0.262586D+00 -0.214981D+01 -0.158197D+01
      2  -0.139789D+01 -0.102417D+01 -0.207214D+00 -0.158197D+01 -0.733112D+01
      3  -0.262586D+00 -0.207214D+00 -0.687858D+00 -0.158968D+00 -0.130982D+01
                96            97            98            99           100 
      1  -0.158968D+00 -0.212819D+00 -0.195801D+00 -0.986739D+00  0.360050D+00
      2  -0.130982D+01 -0.195801D+00 -0.133482D+01 -0.122604D+01 -0.867732D+00
      3  -0.150454D+01 -0.986739D+00 -0.122604D+01 -0.853555D+00  0.879737D+00
               101           102           103           104           105 
      1  -0.867732D+00  0.879737D+00 -0.127081D+01  0.263231D+00 -0.971305D-01
      2   0.873896D+00 -0.777424D+00  0.263231D+00 -0.205252D+01  0.235579D+01
      3  -0.777424D+00  0.226368D+01 -0.971305D-01  0.235579D+01 -0.295746D+01
               106           107           108           109           110 
      1   0.688693D+00 -0.323031D+00  0.627404D+00 -0.133135D+02 -0.168320D+01
      2  -0.323031D+00  0.198129D+01 -0.224691D+01 -0.168320D+01 -0.116225D+01
      3   0.627404D+00 -0.224691D+01  0.536149D+01  0.203564D+01  0.209787D+00
               111           112           113           114           115 
      1   0.203564D+01 -0.238456D+01 -0.155539D+01  0.420918D+00 -0.520840D+00
      2   0.209787D+00 -0.155539D+01 -0.432200D+00  0.565978D+00 -0.186097D-01
      3  -0.153181D+01  0.420918D+00  0.565978D+00 -0.666667D+00 -0.805003D+00
               116           117           118           119           120 
      1  -0.186097D-01 -0.805003D+00 -0.754002D+00  0.675805D+00  0.330469D+00
      2   0.926349D-01 -0.380905D+00  0.675805D+00  0.184721D+00 -0.216022D-01
      3  -0.380905D+00  0.498766D-01  0.330469D+00 -0.216022D-01  0.642185D+00
               121           122           123           124           125 
      1   0.172003D+01 -0.542954D+00 -0.759958D+00  0.361732D+00 -0.241492D+00
      2  -0.542954D+00  0.558760D+01  0.223902D+01 -0.241492D+00  0.158492D+01
      3  -0.759958D+00  0.223902D+01  0.238261D+01  0.811976D-01  0.118562D+01
               126           127           128           129           130 
      1   0.811976D-01 -0.370260D+01  0.243331D+01  0.340305D-01  0.276572D+01
      2   0.118562D+01  0.243331D+01 -0.251967D+01 -0.156523D+00 -0.292854D+01
      3   0.172555D+01  0.340305D-01 -0.156523D+00 -0.381639D+00 -0.299664D+00
               131           132           133           134           135 
      1  -0.292854D+01 -0.299664D+00  0.325262D-01 -0.362771D+00  0.261474D-01
      2   0.586629D+01  0.445215D+00 -0.362771D+00  0.550559D+00  0.163760D+00
      3   0.445215D+00  0.745487D+00  0.261474D-01  0.163760D+00  0.993373D-01
               136           137           138           139           140 
      1   0.225772D+01  0.266075D+01  0.350656D+00  0.231046D+01  0.392428D+01
      2   0.266075D+01  0.287636D+01  0.369575D+00  0.392428D+01  0.979728D+01
      3   0.350656D+00  0.369575D+00  0.358178D+00  0.486738D+00  0.111360D+01
               141           142           143           144           145 
      1   0.486738D+00  0.471992D+00  0.549186D+00  0.143350D+00  0.132833D+02
      2   0.111360D+01  0.549186D+00  0.124611D+01  0.208305D+00  0.145832D+01
      3   0.927959D+00  0.143350D+00  0.208305D+00  0.196454D+00  0.509629D+00
               146           147           148           149           150 
      1   0.145832D+01  0.509629D+00  0.134942D+01  0.172946D+01  0.260602D+00
      2   0.906540D+00  0.583687D-01  0.172946D+01  0.528298D+00  0.864429D-01
      3   0.583687D-01  0.851338D+00  0.260602D+00  0.864429D-01  0.134310D+00
               151           152           153           154           155 
      1   0.505105D+00  0.254908D+00 -0.727286D-01  0.516271D+01 -0.404025D+01
      2   0.254908D+00  0.399807D-01  0.116996D-01 -0.404025D+01  0.367428D+01
      3  -0.727286D-01  0.116996D-01 -0.173415D-01 -0.333064D+00  0.246663D+00
               156           157           158           159           160 
      1  -0.333064D+00 -0.388275D+01  0.458425D+01  0.472059D+00 -0.367559D+00
      2   0.246663D+00  0.458425D+01 -0.669466D+01 -0.613829D+00  0.456932D+00
      3   0.563328D+00  0.472059D+00 -0.613829D+00 -0.768023D+00  0.153885D+00
               161           162           163           164           165 
      1   0.456932D+00  0.153885D+00 -0.151067D+01 -0.180655D+01 -0.254459D+00
      2  -0.802311D+00 -0.989087D-01 -0.180655D+01 -0.221402D+01 -0.296106D+00
      3  -0.989087D-01 -0.964105D-01 -0.254459D+00 -0.296106D+00 -0.229045D+00
               166           167           168           169           170 
      1  -0.159416D+01 -0.198775D+01 -0.261408D+00 -0.120752D+00 -0.364466D+00
      2  -0.198775D+01 -0.895219D+01 -0.101187D+01 -0.364466D+00 -0.117729D+01
      3  -0.261408D+00 -0.101187D+01 -0.901834D+00  0.765241D-01 -0.249758D+00
               171           172           173           174           175 
      1   0.765241D-01 -0.127858D+01  0.205810D-01 -0.243560D+00  0.143752D+01
      2  -0.249758D+00  0.205810D-01 -0.988098D+00 -0.180238D+00 -0.968647D+00
      3  -0.131611D+00 -0.243560D+00 -0.180238D+00 -0.215528D+00  0.209714D+00
               176           177           178           179           180 
      1  -0.968647D+00  0.209714D+00  0.308054D+00 -0.226739D+00 -0.341564D-01
      2   0.636061D+01 -0.201027D+00 -0.226739D+00  0.104436D+01  0.649993D+00
      3  -0.201027D+00  0.146982D+01 -0.341564D-01  0.649993D+00  0.128442D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.674698D+00 -0.610243D+00  0.318514D+01 -0.103408D+01 -0.339833D+00
      2  -0.193565D+00  0.946458D+00  0.270380D+01 -0.259601D+00  0.215775D+01
      3   0.523921D+01 -0.896959D+01 -0.466336D+00  0.868442D+01  0.291553D+01
                 6             7             8             9            10 
      1  -0.226135D+01  0.627287D+01  0.393214D+01  0.510748D+00  0.923303D+00
      2  -0.760031D+01 -0.361147D+01 -0.973975D+01 -0.225053D+01  0.956552D+00
      3  -0.989974D+00  0.591795D+00 -0.159199D+01  0.515011D+01 -0.940313D+01
                11            12            13            14            15 
      1   0.757143D+00 -0.244392D+01  0.284296D+00  0.552392D+00 -0.328806D+01
      2   0.997864D+00 -0.177487D+01  0.126982D+01 -0.292937D+00 -0.157802D+01
      3  -0.501682D+01 -0.156442D+01  0.520158D+01  0.591236D+01 -0.136842D+00
                16            17            18            19            20 
      1  -0.446533D+01  0.906957D+00 -0.455824D+00 -0.137662D+01 -0.346128D-01
      2  -0.123051D+02 -0.215973D+01 -0.113946D+01 -0.314496D+01 -0.867786D-01
      3  -0.371281D+00 -0.636468D+00  0.532631D+01  0.457430D+01  0.630777D+01
                21            22            23            24            25 
      1  -0.243302D-02 -0.806935D+00 -0.192827D+01  0.181638D+01 -0.580790D+00
      2  -0.178520D+01 -0.496131D+00  0.848592D+00 -0.955237D+00 -0.169933D+02
      3   0.261738D+00  0.169511D+02  0.766883D+00 -0.176748D+00 -0.137531D+01
                26            27            28            29            30 
      1   0.102220D+02  0.191070D+01  0.667161D-01 -0.213341D+00  0.328106D+01
      2   0.188259D+00 -0.182013D+01  0.581401D+00  0.421530D+00 -0.162906D+01
      3  -0.561267D+00  0.816567D+00 -0.125916D+01  0.337727D+00  0.294354D+00
                31            32            33            34            35 
      1   0.476485D-01  0.107376D+00 -0.201207D+01  0.670143D+01  0.353391D+01
      2   0.179177D+01  0.128569D+00  0.122532D+01 -0.120795D+02  0.378724D+00
      3  -0.515170D+00 -0.576018D+01  0.108197D+00 -0.800868D+00  0.705270D+00
                36            37            38            39            40 
      1   0.244029D+00 -0.278313D+00  0.894248D+00 -0.239207D+01  0.751224D+00
      2   0.234529D+00 -0.261041D+00  0.113813D+01 -0.658785D-01  0.446639D+00
      3  -0.596051D+01  0.491036D+01 -0.140705D+02 -0.119254D+01  0.446041D+01
                41            42            43            44            45 
      1   0.118175D+00 -0.416030D+01 -0.512685D+01  0.882103D+00 -0.678432D+00
      2  -0.182601D+01  0.656164D+01 -0.794350D+01  0.921675D+01  0.245695D+01
      3  -0.347534D+00  0.121983D+01  0.504023D+00  0.149837D+01 -0.469261D+01
                46            47            48            49            50 
      1   0.305773D+00 -0.157381D+00 -0.112189D+01 -0.235487D+00 -0.129025D+01
      2  -0.137225D+00 -0.369862D+00  0.927825D+01 -0.293718D+01 -0.223160D+00
      3  -0.350867D+01 -0.711104D+01  0.533765D-01  0.108845D+02 -0.412081D+01
                51            52            53            54            55 
      1   0.318630D+01 -0.199243D+01  0.110008D+02  0.167603D+01 -0.694912D+00
      2   0.199045D+01  0.814843D+01  0.226069D+01  0.146540D+01  0.556419D+01
      3   0.312189D+00  0.198772D+01  0.183671D-01 -0.149762D+01 -0.415187D+01
                56            57            58            59            60 
      1  -0.262580D+00  0.336814D+00  0.121048D+01  0.202682D+01 -0.275046D+01
      2   0.132692D+01 -0.362801D+01 -0.438447D+00 -0.575414D+01  0.265322D+01
      3   0.110046D+01 -0.661228D+00  0.117442D+02  0.137614D+02  0.651265D+01
                61            62            63            64            65 
      1   0.125731D+01  0.208778D+01 -0.145752D+01 -0.903385D+00  0.270570D+01
      2  -0.164209D+02  0.642396D+00  0.302027D+01 -0.179041D+01 -0.159859D+01
      3   0.851820D+00  0.693239D+01 -0.450027D+01  0.707039D+01 -0.960915D+01
                66            67            68            69            70 
      1   0.123093D+01 -0.184285D+00  0.826210D+01 -0.208842D+01 -0.386989D+00
      2   0.193502D+02  0.128830D+01  0.274278D+01 -0.269702D+00  0.857194D+01
      3   0.381293D+01 -0.202862D+01 -0.164385D+02 -0.403401D+01  0.142169D+01
                71            72            73            74            75 
      1   0.544562D+01 -0.283645D+01  0.324249D+01 -0.252156D+01  0.392789D+00
      2   0.759701D+00 -0.121885D+02 -0.127096D+02 -0.488304D+01  0.145716D+02
      3  -0.535694D+01 -0.692300D+00  0.599770D+01 -0.729084D+01  0.109779D+01
                76            77            78            79            80 
      1  -0.137293D+00 -0.710382D+01 -0.880522D+01 -0.104302D+01 -0.369785D+01
      2  -0.340295D+01  0.112734D+02 -0.631166D+01  0.871159D+01 -0.480925D+01
      3  -0.837568D+00 -0.126263D+02 -0.111516D+02 -0.657222D+00 -0.106775D+02
                81            82            83            84            85 
      1   0.452641D+01 -0.221622D-01 -0.154065D+01 -0.146585D+01 -0.740748D+00
      2   0.413327D+01  0.462355D+01  0.425350D-01 -0.872697D+01 -0.169260D+01
      3   0.648676D+01 -0.910587D+00  0.873438D+00 -0.546605D+00  0.128667D+01
                86            87            88            89            90 
      1  -0.241884D+00  0.490203D-02 -0.846783D+00  0.266123D+01  0.221144D+01
      2   0.163682D+01  0.102518D+01 -0.876606D+01 -0.169763D+01  0.220008D+02
      3   0.697551D+00 -0.122973D+01 -0.484789D+00 -0.167309D+01  0.329403D+01
                91            92            93            94            95 
      1  -0.751811D-01 -0.162680D+00 -0.739018D+00 -0.266914D+00  0.963590D-01
      2   0.233486D+00  0.228861D+00  0.208054D+01 -0.315731D-01  0.279990D+01
      3  -0.391133D+01 -0.246791D+01 -0.284043D+00  0.227265D+01 -0.142371D+02
                96            97            98            99           100 
      1  -0.337341D+01 -0.402952D+00  0.874769D+00 -0.952722D+00 -0.142997D+01
      2   0.304996D+01  0.250291D+00  0.179979D+01  0.164623D+01 -0.450394D+01
      3  -0.304996D+01  0.196690D+00 -0.277629D+01 -0.138257D+01 -0.315729D+01
               101           102           103           104           105 
      1   0.230947D+01 -0.103500D+00  0.117594D+01 -0.323296D+01  0.136679D+01
      2   0.324880D+01 -0.605627D+01  0.325633D+01 -0.668657D+01  0.758639D+01
      3   0.241839D+01 -0.219824D+01  0.308363D+01 -0.482348D+01  0.589351D+01
               106           107           108           109           110 
      1  -0.133349D+00  0.461135D+01 -0.191578D+01 -0.174944D+01 -0.230621D+01
      2  -0.563130D+01  0.644332D+01 -0.140061D+02  0.109995D+02  0.169540D+01
      3  -0.142710D+01  0.491191D+01 -0.622998D+01 -0.108033D+01 -0.617214D+01
               111           112           113           114           115 
      1  -0.702071D+00 -0.185585D+01 -0.643308D-01 -0.225251D+00 -0.110812D+00
      2   0.530877D+01  0.184602D+01 -0.100906D-01  0.190396D+01  0.960591D+00
      3   0.764310D-01 -0.258346D+01 -0.725085D+00  0.142919D+01  0.253563D+00
               116           117           118           119           120 
      1   0.905566D+00 -0.590618D+00  0.147008D+01  0.750398D+00 -0.222895D+00
      2   0.891439D+00  0.928028D+00 -0.856004D+00 -0.967917D+00 -0.151835D+01
      3   0.131139D+01 -0.842768D+00  0.261597D+01  0.940223D+00  0.179255D+00
               121           122           123           124           125 
      1   0.106708D+00  0.108075D+02  0.118277D+01 -0.194879D+00  0.424471D+01
      2  -0.138162D+01 -0.615458D+01 -0.525818D+01 -0.185727D+01 -0.259738D+01
      3   0.203143D+01  0.165811D+02  0.611611D+01 -0.174584D+00  0.443714D+01
               126           127           128           129           130 
      1   0.163223D+01  0.696379D+00 -0.437324D+00  0.235147D+01  0.282856D+00
      2  -0.423867D+01  0.116580D+01 -0.429475D+00  0.880456D+00 -0.629820D+00
      3   0.305061D+01 -0.108845D+02  0.431393D+01 -0.171870D+00  0.763018D+01
               131           132           133           134           135 
      1   0.127980D+00 -0.319625D+01  0.784260D-02  0.193066D+01  0.308919D-01
      2   0.591535D+00 -0.153837D+01 -0.198037D+01  0.315853D+00 -0.134475D+00
      3  -0.575088D+01 -0.913733D+00 -0.829138D+00 -0.850467D+00 -0.264372D+00
               136           137           138           139           140 
      1  -0.626424D-01  0.115082D-01 -0.164852D+01 -0.665422D-01  0.310269D+00
      2   0.739100D-01  0.306354D+00  0.145252D+01  0.290159D+00  0.156201D+01
      3  -0.695748D+00 -0.252907D+01 -0.241192D+00 -0.148421D+01 -0.143027D+02
               141           142           143           144           145 
      1  -0.439163D+01  0.572450D+00  0.182369D+01 -0.367040D+00 -0.570951D-01
      2   0.277806D+01 -0.723722D+00 -0.249115D+00  0.452792D+00  0.577137D+00
      3  -0.148792D+01 -0.243436D+00 -0.172834D+01 -0.293393D+00 -0.868165D+00
               146           147           148           149           150 
      1   0.183529D+00 -0.678264D+00 -0.110556D-01  0.183034D-01 -0.416115D+00
      2   0.127969D-01  0.600483D+01  0.930962D+00  0.206872D+00  0.885334D+00
      3  -0.533913D+01  0.107513D-01 -0.385869D+01 -0.168624D+01 -0.242977D+00
               151           152           153           154           155 
      1   0.535535D+00  0.634456D+00  0.391814D-03  0.128282D+00 -0.364570D+00
      2  -0.324889D+01 -0.255034D+00 -0.148181D-01 -0.554427D-01 -0.342055D-02
      3  -0.854433D+00 -0.396739D+00  0.924883D-01  0.164972D+01 -0.495152D+01
               156           157           158           159           160 
      1   0.229529D+01  0.217764D+00  0.157352D-01 -0.330686D+01 -0.782746D+00
      2   0.288793D+01  0.590247D+00 -0.957967D+00 -0.324265D+01 -0.973814D+00
      3  -0.146106D+00 -0.355596D+01  0.111759D+02  0.850783D+00 -0.757866D+00
               161           162           163           164           165 
      1   0.159420D+01 -0.132225D+00  0.118137D+00  0.997506D-02 -0.152523D+01
      2   0.524353D+00 -0.313550D+00 -0.809790D+00 -0.650232D+00  0.333136D+00
      3   0.140142D+01 -0.616444D-01  0.632925D+01  0.418124D+01  0.583759D+00
               166           167           168           169           170 
      1  -0.416451D-02  0.418492D+00 -0.424235D+01  0.461103D+00  0.203243D+01
      2  -0.678168D+00 -0.126546D+01  0.583876D+00 -0.174801D+01 -0.249505D+00
      3   0.722840D+01  0.910681D+01  0.124596D+01  0.113001D+01  0.125629D+01
               171           172           173           174           175 
      1  -0.331632D+00  0.373251D+00  0.989192D+00 -0.278334D-01  0.821528D+00
      2   0.764060D-02  0.131310D+00 -0.770559D-01 -0.114329D+00  0.237849D+00
      3   0.824936D-01  0.154953D+01 -0.143804D+01 -0.184774D+00  0.167226D+01
               176           177           178           179           180 
      1  -0.995944D+01 -0.259255D+01  0.152776D+00 -0.113389D+01 -0.173767D+01
      2  -0.777277D+00 -0.348926D+01 -0.627330D+00 -0.156046D+01 -0.689335D+00
      3   0.197977D+02  0.174751D+00  0.103872D+01  0.377652D+01  0.211869D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.303628D+01  0.256993D+02  0.308268D+01 -0.285145D+02  0.508698D+01
      2  -0.513670D+00 -0.161867D+02  0.261059D+00  0.292699D+02 -0.102056D+02
      3   0.354995D+01 -0.951265D+01 -0.334374D+01 -0.755403D+00  0.511866D+01
      4   0.154307D+02  0.154848D+01  0.657619D+00 -0.668493D+00  0.107229D+02
      5   0.700668D+00  0.579562D+00  0.507725D+01 -0.296255D+01  0.504534D+01
      6   0.844024D-01 -0.919914D+00 -0.809635D+01  0.424220D+01 -0.414528D+01
                 6             7             8             9            10 
      1   0.806541D+00 -0.410675D+01  0.215898D+01  0.115541D+01  0.155992D+02
      2  -0.995909D+00  0.554739D+01 -0.467540D+01 -0.847428D+01 -0.105547D+02
      3   0.189368D+00 -0.144064D+01  0.251642D+01  0.731887D+01 -0.504449D+01
      4   0.515627D+01 -0.194342D+01  0.507591D+01 -0.152690D+02 -0.478418D+01
      5  -0.162238D+02  0.201815D+02 -0.155919D+02 -0.482248D+01 -0.208166D+00
      6   0.503397D+01 -0.733404D+01  0.131130D+02 -0.194062D+00 -0.581683D+00
                11            12            13            14            15 
      1  -0.118481D+02 -0.392939D+00  0.819053D+00  0.100934D+02  0.228052D+01
      2   0.854669D+01 -0.735006D+00 -0.103805D+02 -0.172177D+02 -0.484367D+01
      3   0.330138D+01  0.112794D+01  0.956140D+01  0.712435D+01  0.256315D+01
      4  -0.170401D+02 -0.153090D+01  0.102697D+02 -0.148068D+02 -0.902547D+00
      5  -0.142724D+01 -0.470713D+01  0.507821D+00 -0.106577D+01 -0.752292D+00
      6  -0.832431D+00  0.540908D+01 -0.274364D+01 -0.609659D+01  0.748449D+01
                16            17            18            19            20 
      1   0.122185D+01  0.191295D+01 -0.153830D+02 -0.202924D+02 -0.452769D+01
      2  -0.290063D+01 -0.593319D+01  0.200668D+01  0.559412D+01  0.278253D+01
      3   0.167878D+01  0.402025D+01  0.133764D+02  0.146983D+02  0.174516D+01
      4  -0.857675D+00 -0.159063D+01 -0.708669D+01 -0.262175D+01  0.211028D+01
      5   0.631721D+01 -0.550684D+01 -0.167679D+01 -0.263086D+01 -0.614741D+00
      6   0.175848D+01  0.158514D+02  0.266239D+01 -0.163372D+01  0.372240D+00
                21            22            23            24            25 
      1  -0.169059D+01  0.649715D+00 -0.124045D+02 -0.600080D+00 -0.215595D+01
      2  -0.461238D+00 -0.469885D+01  0.204955D+02  0.440675D+01 -0.118202D+01
      3   0.215183D+01  0.404913D+01 -0.809098D+01 -0.380667D+01  0.333797D+01
      4  -0.292751D+00 -0.127595D+02 -0.906894D+00  0.418755D+00 -0.289933D+01
      5   0.210971D+01 -0.386234D+01 -0.299387D-01 -0.171344D+01  0.696137D+01
      6   0.255119D+01 -0.233525D+01  0.328984D+01 -0.441454D+01  0.262405D+01
                26            27            28            29            30 
      1  -0.182120D+01 -0.612614D+01 -0.276436D+01  0.178882D+02  0.242963D+01
      2   0.291694D+01 -0.549935D+01  0.132288D+01 -0.124191D+02  0.989783D+00
      3  -0.109575D+01  0.116255D+02  0.144148D+01 -0.546910D+01 -0.341941D+01
      4   0.177284D+01  0.199529D+00  0.136728D+02 -0.116462D+02 -0.330448D+00
      5   0.561480D-01 -0.150550D+01 -0.262160D+00 -0.539958D+00 -0.312516D+01
      6   0.497011D+01 -0.148047D+01  0.950591D+00 -0.538878D+00 -0.770073D+01
                31            32            33            34            35 
      1  -0.663849D+01  0.549794D+01  0.253810D+01 -0.180326D+01  0.286224D+01
      2   0.170110D+02 -0.958280D+01 -0.165881D+01  0.478349D+01 -0.393511D+01
      3  -0.103725D+02  0.408485D+01 -0.879286D+00 -0.298022D+01  0.107288D+01
      4   0.559222D+01  0.150909D+02  0.183526D+01  0.172146D+01  0.595498D+00
      5   0.833105D+00  0.199869D+01 -0.106214D+01  0.134466D+01  0.144484D+01
      6   0.499995D+01 -0.297077D+01  0.485971D+01 -0.627414D+01  0.108753D+02
                36            37            38            39            40 
      1  -0.143218D+02  0.127904D+02 -0.222505D+02 -0.187106D+01  0.205049D+02
      2   0.179424D+01 -0.124722D+02  0.144021D+02  0.745365D-01 -0.198785D+02
      3   0.125275D+02 -0.318157D+00  0.784833D+01  0.179652D+01 -0.626367D+00
      4   0.330321D+01 -0.181839D+02 -0.606541D+01 -0.170596D+01  0.117813D+02
      5  -0.544275D+00 -0.130663D+01 -0.129729D+01 -0.183245D+01 -0.793560D+00
      6  -0.816905D-01 -0.238746D+01 -0.453198D+00  0.515441D+01 -0.303821D+01
                41            42            43            44            45 
      1   0.122067D+02  0.175611D+01  0.216948D+01  0.392919D+00 -0.615284D+01
      2  -0.195423D+02 -0.435459D+01 -0.398985D+01 -0.509115D+01 -0.341915D+01
      3   0.733566D+01  0.259849D+01  0.182037D+01  0.469823D+01  0.957199D+01
      4  -0.579054D+01 -0.408056D+01 -0.207376D+01 -0.533762D+01  0.146748D+02
      5  -0.395122D+01  0.135106D+02  0.131139D+02  0.151590D+02  0.504368D+01
      6  -0.681380D+01  0.883822D+01  0.658336D+01  0.164916D+02  0.194435D+01
                46            47            48            49            50 
      1  -0.150311D+02 -0.505461D+01 -0.271483D+01  0.110954D+02 -0.230858D+02
      2   0.912975D+01  0.326351D+01  0.917373D+00 -0.111833D+02  0.222218D+02
      3   0.590138D+01  0.179110D+01  0.179745D+01  0.879261D-01  0.864045D+00
      4  -0.223320D+01  0.224736D+02  0.254300D-01 -0.213349D+02 -0.204099D+01
      5  -0.318529D+01 -0.307168D+00  0.210491D+02 -0.643673D+01 -0.144909D+01
      6   0.491316D+00 -0.565132D-01  0.280119D+01 -0.168672D+01  0.311628D+01
                51            52            53            54            55 
      1  -0.446008D+01 -0.149464D+01 -0.440180D+01  0.135995D+02  0.133450D+02
      2   0.573460D+01 -0.863326D+00  0.340711D+01 -0.174612D+02 -0.499224D+01
      3  -0.127452D+01  0.235796D+01  0.994691D+00  0.386170D+01 -0.835271D+01
      4  -0.176836D+01 -0.705492D+01 -0.784719D+00  0.371933D+01  0.437529D+01
      5   0.430096D+01  0.375205D+02  0.389333D+01  0.322870D+01  0.558158D+01
      6  -0.583705D+01  0.242170D+01  0.599285D+01 -0.241409D+01 -0.810477D+00
                56            57            58            59            60 
      1  -0.398955D+00  0.554270D+00  0.161521D+02  0.631927D+01  0.527118D+01
      2  -0.363511D+00 -0.388358D+01 -0.156736D+02 -0.158794D+02 -0.832826D+01
      3   0.762467D+00  0.332931D+01 -0.478510D+00  0.956015D+01  0.305708D+01
      4  -0.721673D+01  0.218009D+01 -0.760778D+01 -0.276397D+02 -0.116220D+02
      5   0.157791D+01 -0.176863D+02  0.110440D+02 -0.999421D+01  0.948916D+01
      6  -0.115285D+01  0.128614D+01 -0.371860D+01 -0.490756D+01  0.570546D+00
                61            62            63            64            65 
      1  -0.329482D+01  0.282554D+01 -0.111206D+02  0.217180D+02 -0.728414D+00
      2  -0.368018D+01 -0.328439D+01  0.135056D+02 -0.110450D+02 -0.983084D+00
      3   0.697500D+01  0.458843D+00 -0.238498D+01 -0.106730D+02  0.171150D+01
      4   0.644636D+01 -0.108610D+02  0.255847D+01 -0.823807D+01  0.126480D+02
      5  -0.398795D+02  0.182469D+01  0.668030D+01  0.880520D+01 -0.543566D+01
      6  -0.469417D-01 -0.402138D+01  0.121947D+01 -0.468828D+01  0.445869D+01
                66            67            68            69            70 
      1  -0.721065D+01 -0.110290D+02  0.940854D+01 -0.275996D+01 -0.233168D+01
      2  -0.690257D+01  0.907333D+01 -0.128434D+02  0.593939D+00 -0.942438D+01
      3   0.141132D+02  0.195568D+01  0.343486D+01  0.216602D+01  0.117561D+02
      4  -0.401103D+01  0.165741D+02  0.222834D+02  0.965317D+01 -0.395232D+01
      5   0.277747D+02 -0.814769D+01  0.113861D+02 -0.441780D+01  0.356662D+02
      6  -0.410468D+01  0.701315D+01  0.730420D+01  0.609773D+01 -0.352908D+01
                71            72            73            74            75 
      1   0.138299D+01  0.260320D+02 -0.530600D+02 -0.141164D+02  0.141815D+02
      2  -0.300330D+01 -0.107875D+02  0.244335D+02  0.495378D+01  0.629411D+00
      3   0.162031D+01 -0.152445D+02  0.286265D+02  0.916257D+01 -0.148109D+02
      4   0.887222D+01 -0.479374D+01 -0.180116D+02  0.558739D+01 -0.162904D+01
      5  -0.175602D+01  0.909919D+01  0.174771D+02  0.172044D+01  0.156951D+02
      6   0.686687D+01 -0.150656D+01  0.696213D+01 -0.523546D+01  0.340714D+01
                76            77            78            79            80 
      1  -0.163553D+02  0.133361D+02 -0.614615D+01  0.102521D+01 -0.866362D+01
      2   0.988599D+01 -0.223757D+01 -0.150356D+01  0.109774D+02  0.249862D+00
      3   0.646936D+01 -0.110986D+02  0.764971D+01 -0.120026D+02  0.841375D+01
      4   0.286665D+01  0.209723D+02  0.158067D+02 -0.359091D+01  0.141061D+02
      5   0.280777D+01  0.118944D+02 -0.579969D+01  0.259450D+02 -0.332367D+01
      6  -0.130060D+01 -0.995543D+01 -0.130634D+02  0.315917D+01 -0.101407D+02
                81            82            83            84            85 
      1   0.196194D+02  0.189407D+01  0.949967D-02  0.127494D+02  0.398965D+01
      2  -0.142979D+02 -0.316257D+01  0.277951D+00  0.313204D+01 -0.184685D+01
      3  -0.532151D+01  0.126850D+01 -0.287450D+00 -0.158814D+02 -0.214280D+01
      4  -0.504734D+01  0.590371D+00 -0.145013D+01 -0.518927D+00  0.950889D+00
      5  -0.140849D+02  0.221188D+01  0.101998D+01 -0.637455D+01  0.388188D+00
      6   0.838785D+01  0.632505D+00 -0.169335D+01  0.115765D+01 -0.284231D+00
                86            87            88            89            90 
      1  -0.385724D+01 -0.469682D+00  0.119431D+02  0.200489D+01 -0.283992D+02
      2   0.101423D+01 -0.103156D+00 -0.154782D+01 -0.591873D+00 -0.956777D+01
      3   0.284301D+01  0.572838D+00 -0.103953D+02 -0.141302D+01  0.379669D+02
      4  -0.984919D+00  0.260162D+01 -0.213941D+01  0.291251D+01 -0.749890D-01
      5   0.183923D+01  0.522638D+00  0.102837D+01 -0.210740D+01  0.220016D+02
      6  -0.628300D+00  0.587099D+01  0.820034D+00  0.468564D+01 -0.502735D+01
                91            92            93            94            95 
      1   0.161443D+01  0.363631D+01  0.118498D+01  0.776892D+00 -0.140573D+02
      2   0.304259D+01 -0.517136D-01  0.117897D+00  0.371313D+01  0.275943D+02
      3  -0.465703D+01 -0.358460D+01 -0.130288D+01 -0.449002D+01 -0.135370D+02
      4   0.822127D+01  0.105128D+02  0.197361D+01  0.109029D+02  0.316742D+02
      5   0.188997D+01  0.198508D+01  0.515608D+01  0.125149D+01  0.501943D+01
      6   0.239112D+01  0.880368D+00  0.411840D+00  0.110387D+01  0.816945D+01
                96            97            98            99           100 
      1  -0.269684D+01  0.929412D+00 -0.265086D+01 -0.310682D+01 -0.266151D+01
      2   0.411230D+01  0.556344D+00  0.284147D+01  0.210908D+01 -0.432045D+00
      3  -0.141546D+01 -0.148576D+01 -0.190617D+00  0.997744D+00  0.309355D+01
      4   0.567511D+01  0.191821D+01  0.567282D+01  0.507086D+01  0.233169D+01
      5   0.656694D+01  0.620590D+01  0.466232D+01  0.305013D+01 -0.658338D-01
      6   0.570902D+01  0.143580D+01  0.825449D+01  0.369917D+01 -0.387545D+01
               101           102           103           104           105 
      1   0.698705D+01 -0.110769D+02  0.682192D+01 -0.122113D+02  0.117239D+02
      2  -0.259405D+01 -0.325478D+00 -0.366397D+01  0.520002D+01  0.194188D+00
      3  -0.439300D+01  0.114023D+02 -0.315796D+01  0.701133D+01 -0.119181D+02
      4  -0.209395D+01  0.146286D+01  0.155251D+01  0.724189D+01 -0.944632D+01
      5  -0.460712D+00 -0.312981D+01 -0.398753D+01 -0.690663D+01  0.971439D+01
      6   0.476457D+01 -0.486792D+01  0.127876D+01 -0.109747D+02  0.136203D+02
               106           107           108           109           110 
      1  -0.607190D+01  0.104622D+02 -0.229586D+02  0.827058D+02  0.970214D+01
      2   0.777770D+00  0.521951D+00 -0.609590D+01 -0.435599D+02 -0.368055D+01
      3   0.529414D+01 -0.109841D+02  0.290545D+02 -0.391459D+02 -0.602159D+01
      4   0.745385D-01 -0.827222D+01  0.866910D+01  0.167593D+02  0.124368D+02
      5   0.378508D+01  0.702798D+01 -0.160643D+02 -0.332053D+02 -0.418688D+01
      6  -0.163982D+01  0.117106D+02 -0.146071D+02 -0.541357D+01 -0.392120D+01
               111           112           113           114           115 
      1  -0.820149D+01  0.118689D+02  0.687288D+01 -0.638254D-01  0.238987D+01
      2   0.813039D+01 -0.471756D+01 -0.245152D+01  0.139358D+01  0.132514D+01
      3   0.711037D-01 -0.715137D+01 -0.442135D+01 -0.132975D+01 -0.371501D+01
      4  -0.229957D+01  0.145585D+02  0.464160D+01 -0.329885D+01  0.248207D+00
      5   0.155477D+02 -0.586785D+01 -0.465091D+01  0.392014D+01  0.918114D+01
      6   0.153255D+01 -0.367482D+01 -0.895561D+00  0.316297D+01  0.955809D+00
               116           117           118           119           120 
      1   0.954753D+00  0.475447D+01  0.492817D+01 -0.286101D+01 -0.436318D+01
      2   0.627257D+00 -0.366153D+01 -0.193302D+01  0.185250D+01  0.552671D+00
      3  -0.158201D+01 -0.109294D+01 -0.299515D+01  0.100852D+01  0.381051D+01
      4  -0.958029D+00  0.273381D+01 -0.226223D+01  0.150645D+01  0.845894D+00
      5   0.218490D+01 -0.233960D+01 -0.311931D+01  0.203390D+01 -0.394038D+00
      6   0.208221D+01 -0.113621D+01  0.217645D+01  0.862309D+00  0.701097D-02
               121           122           123           124           125 
      1  -0.542190D+01 -0.930078D+01 -0.418916D+01 -0.194916D+01 -0.344848D+01
      2   0.336021D+01  0.820164D+01 -0.167623D+01  0.112656D+01 -0.808151D+00
      3   0.206170D+01  0.109915D+01  0.586539D+01  0.822603D+00  0.425663D+01
      4   0.639179D+01 -0.281883D+02 -0.111169D+02  0.152765D+01 -0.780127D+01
      5   0.736086D+01 -0.951337D+01 -0.114632D+02  0.222101D+01 -0.530746D+01
      6  -0.179354D+01  0.196565D+02  0.115135D+02 -0.112372D+01  0.100097D+02
               126           127           128           129           130 
      1  -0.725583D+01 -0.467360D+01  0.719040D+01  0.660189D+00  0.790710D+01
      2  -0.521365D+00  0.657772D+01 -0.102976D+02 -0.688235D+00 -0.112475D+02
      3   0.777719D+01 -0.190412D+01  0.310717D+01  0.280465D-01  0.334040D+01
      4  -0.574553D+01 -0.884176D+01  0.862391D+01  0.554164D+00  0.857646D+01
      5  -0.652125D+01  0.118820D+00  0.626356D+00  0.210763D+01  0.729944D+00
      6   0.582585D+01  0.525272D+00 -0.589711D+00 -0.226725D+01 -0.121525D+01
               131           132           133           134           135 
      1  -0.209939D+02 -0.200953D+01  0.115079D+01 -0.172990D+01 -0.641113D+00
      2   0.286572D+02  0.158922D+01 -0.157736D+01  0.207665D+01  0.129351D+01
      3  -0.766334D+01  0.420308D+00  0.426577D+00 -0.346757D+00 -0.652398D+00
      4  -0.897877D+01 -0.422445D+00  0.914578D+00 -0.384062D+00 -0.208820D+01
      5  -0.583760D+00 -0.176324D+01  0.890017D+00 -0.622865D+00 -0.338980D+00
      6   0.263970D+01  0.487938D+01 -0.495619D+00  0.190021D+01  0.840694D+00
               136           137           138           139           140 
      1   0.535205D+01  0.440359D+01  0.489259D+00 -0.139779D+01 -0.170442D+02
      2   0.395198D+01  0.606980D+01  0.288543D+00  0.128280D+02  0.414465D+02
      3  -0.930403D+01 -0.104734D+02 -0.777801D+00 -0.114303D+02 -0.244023D+02
      4   0.187100D+02  0.237484D+02  0.274821D+01  0.250308D+02  0.488818D+02
      5   0.236186D+01  0.271129D+01  0.368569D+01  0.288571D+01  0.516168D+01
      6   0.182161D+01  0.217095D+01  0.232654D+01  0.299837D+01  0.735540D+01
               141           142           143           144           145 
      1  -0.202987D+01 -0.220739D-01 -0.172093D+01 -0.134381D+01  0.100523D+03
      2   0.333231D+01  0.125421D+01  0.414911D+01  0.256036D+01 -0.562870D+02
      3  -0.130245D+01 -0.123213D+01 -0.242818D+01 -0.121655D+01 -0.442364D+02
      4   0.537093D+01  0.330997D+01  0.618314D+01  0.250245D+01  0.158585D+02
      5   0.465871D+01  0.129507D+01  0.174891D+01  0.124145D+01  0.513532D+01
      6   0.738529D+01  0.161947D+01  0.306836D+01  0.181882D+01 -0.930118D+00
               146           147           148           149           150 
      1   0.100609D+02  0.332227D+01  0.853742D+01  0.984700D+01  0.103635D+01
      2  -0.493109D+01 -0.221950D+01 -0.358975D+01 -0.434052D+01 -0.821469D+00
      3  -0.512977D+01 -0.110277D+01 -0.494767D+01 -0.550648D+01 -0.214884D+00
      4   0.998714D+01  0.508572D+00  0.164561D+02  0.506896D+01  0.800529D+00
      5   0.504951D+00  0.969206D+01  0.217767D+01  0.817999D+00  0.130424D+01
      6   0.124890D+00  0.812879D+00  0.456094D+00  0.319115D-01  0.154162D+01
               151           152           153           154           155 
      1   0.394467D+01  0.111788D+01  0.311461D+01  0.227856D+02 -0.142365D+02
      2  -0.208414D+01 -0.546125D+00 -0.173412D+01 -0.377186D+01 -0.125071D+01
      3  -0.186054D+01 -0.571752D+00 -0.138049D+01 -0.190137D+02  0.154872D+02
      4   0.238206D+01  0.844876D+00  0.555307D+00 -0.344373D+02  0.314583D+02
      5   0.157393D+01  0.219664D+00  0.297727D+00 -0.336603D+01  0.240822D+01
      6   0.116872D+00  0.394963D+00  0.245550D+00  0.129824D+01 -0.104749D+01
               156           157           158           159           160 
      1  -0.138486D+01 -0.945872D+01  0.382340D+01  0.412556D+00 -0.518574D+00
      2   0.501152D+00 -0.690902D+01  0.173154D+02  0.452971D+00 -0.754756D+00
      3   0.883712D+00  0.163677D+02 -0.211388D+02 -0.865526D+00  0.127333D+01
      4   0.225678D+01  0.348774D+02 -0.449584D+02 -0.391528D+01  0.348916D+01
      5   0.563143D+01  0.367757D+01 -0.417921D+01 -0.503743D+01  0.193066D+01
      6  -0.305165D+01 -0.227985D+01  0.313704D+01  0.545067D+01 -0.155767D+01
               161           162           163           164           165 
      1   0.857527D-01  0.197818D+00 -0.532066D+01 -0.922242D+01 -0.133646D+01
      2   0.162787D+01  0.113530D+01  0.708249D+01  0.113564D+02  0.978961D+00
      3  -0.171363D+01 -0.133311D+01 -0.176183D+01 -0.213396D+01  0.357497D+00
      4  -0.435215D+01 -0.251250D+01  0.344131D+01  0.738509D+01  0.698985D+00
      5  -0.199432D+01 -0.925899D+00  0.461588D+00  0.565881D+00  0.138124D+01
      6   0.208039D+01  0.949255D+00  0.128667D+01  0.191601D+01  0.211780D+01
               166           167           168           169           170 
      1  -0.736022D+01 -0.347092D+02 -0.416870D+01 -0.132439D+01 -0.449229D+01
      2   0.926337D+01  0.476108D+02  0.418936D+01  0.156663D+01  0.554352D+01
      3  -0.190315D+01 -0.129016D+02 -0.206539D-01 -0.242234D+00 -0.105124D+01
      4   0.513628D+01 -0.127078D+01 -0.492599D+00  0.771900D+00 -0.506276D-01
      5   0.617354D+00 -0.664259D+00  0.202131D+00  0.148331D+00  0.644148D+00
      6   0.138191D+01  0.714223D+01  0.697769D+01  0.502927D+00  0.285733D+01
               171           172           173           174           175 
      1  -0.187495D+01  0.561503D+01 -0.628403D+00  0.277560D+01 -0.279925D+01
      2   0.282175D+01 -0.342630D+01 -0.599494D+00 -0.195161D+01 -0.911142D+00
      3  -0.946799D+00 -0.218874D+01  0.122790D+01 -0.823990D+00  0.371039D+01
      4   0.138135D+01  0.117607D-02  0.447350D+01  0.100271D+01  0.737639D+01
      5   0.242660D+00  0.349567D+01  0.113238D+01  0.145442D+01 -0.222321D+01
      6   0.168166D+01  0.170045D+01  0.890981D+00  0.111316D+01  0.148649D+01
               176           177           178           179           180 
      1  -0.748609D+01  0.203777D+01 -0.294541D+00  0.103714D+01 -0.253030D+01
      2   0.198601D+02  0.174819D+01 -0.503879D+00  0.217607D+01  0.155184D+01
      3  -0.123740D+02 -0.378596D+01  0.798420D+00 -0.321320D+01  0.978459D+00
      4  -0.312337D+02  0.637591D+00  0.170765D+01 -0.564354D+01 -0.275021D+01
      5  -0.174547D+00 -0.595680D+01  0.109290D+01 -0.287703D+01 -0.117139D+01
      6  -0.118582D+02  0.343148D+01 -0.218302D+00  0.194452D+01 -0.231262D+00
 Leave Link  716 at Thu Aug 12 21:42:05 2021, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.136523D+03 -0.221655D+00  0.890102D+00
      2  -0.221655D+00  0.108988D+03  0.259631D+01
      3   0.890102D+00  0.259631D+01  0.791126D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.701155D+00  0.305520D+01  0.168606D+01
      2   0.353911D+00  0.784534D+01 -0.169337D+02
      3  -0.468689D+01 -0.354537D+02 -0.765139D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.666287D+02  0.102477D+01 -0.105659D+01
      2  -0.126493D+02 -0.106268D+00 -0.533982D+01
      3  -0.539794D+02 -0.918500D+00  0.639642D+01
      4   0.208960D+01  0.743924D+02  0.177324D+02
      5   0.111839D+02  0.177664D+02 -0.433878D+02
      6   0.676422D+01  0.777755D+01 -0.697510D+00
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    60 ND12= 1 LenFil=    2163:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.252013D+01 -0.714548D+00 -0.272886D+00 -0.558116D+01 -0.108962D+01
      2  -0.714548D+00  0.311947D+01  0.325843D+00 -0.108962D+01 -0.499388D+00
      3  -0.272886D+00  0.325843D+00  0.189205D+01 -0.528086D+00  0.717541D+00
                 6             7             8             9            10 
      1  -0.528086D+00 -0.995680D+00 -0.435949D+00  0.295803D+01  0.555856D+01
      2   0.717541D+00 -0.435949D+00  0.106230D+01 -0.347254D+01  0.252038D+01
      3  -0.235645D+01  0.295803D+01 -0.347254D+01 -0.873111D+00  0.711757D+00
                11            12            13            14            15 
      1   0.252038D+01  0.711757D+00 -0.696139D+01 -0.195425D+00 -0.199349D-01
      2  -0.245946D+01  0.350433D-01 -0.195425D+00 -0.140738D+01  0.588335D+00
      3   0.350433D-01 -0.133458D+01 -0.199349D-01  0.588335D+00 -0.256916D+01
                16            17            18            19            20 
      1  -0.728775D+00  0.598431D+00 -0.131876D+01 -0.167571D+02 -0.128322D+01
      2   0.598431D+00  0.749244D+00 -0.383693D+01 -0.128322D+01 -0.210207D+01
      3  -0.131876D+01 -0.383693D+01 -0.148050D+01 -0.958384D-01  0.620914D-02
                21            22            23            24            25 
      1  -0.958384D-01 -0.234130D+01  0.181908D+01  0.759575D+00 -0.144579D+00
      2   0.620914D-02  0.181908D+01 -0.662377D+00 -0.644729D-01  0.538480D+00
      3  -0.250994D+01  0.759575D+00 -0.644729D-01  0.266269D+00 -0.378540D+01
                26            27            28            29            30 
      1   0.538480D+00 -0.378540D+01  0.407627D+01 -0.908724D+00  0.389668D+00
      2  -0.397875D+00 -0.425084D+00 -0.908724D+00 -0.342022D+01 -0.278440D+00
      3  -0.425084D+00 -0.164465D-01  0.389668D+00 -0.278440D+00 -0.189252D+01
                31            32            33            34            35 
      1   0.799566D+01 -0.966758D-01  0.382970D+00  0.123466D+01  0.127250D+00
      2  -0.966758D-01  0.830742D+00 -0.514372D+00  0.127250D+00 -0.832824D+00
      3   0.382970D+00 -0.514372D+00  0.182944D+01 -0.175835D+01  0.307347D+01
                36            37            38            39            40 
      1  -0.175835D+01 -0.448962D+01 -0.537189D+00 -0.337164D+00  0.547303D+01
      2   0.307347D+01 -0.537189D+00  0.196575D+01 -0.838336D-01 -0.279469D-01
      3   0.662146D+00 -0.337164D+00 -0.838336D-01  0.927310D+00 -0.119275D+00
                41            42            43            44            45 
      1  -0.279469D-01 -0.119275D+00  0.361483D+00 -0.436598D+00  0.199665D+01
      2   0.106287D+01 -0.683493D+00 -0.436598D+00 -0.775303D+00  0.399870D+01
      3  -0.683493D+00  0.275807D+01  0.199665D+01  0.399870D+01  0.135195D+01
                46            47            48            49            50 
      1   0.600990D+01  0.209802D+00 -0.983643D-01  0.620348D+00 -0.421734D+00
      2   0.209802D+00  0.324812D+01 -0.292923D-01 -0.421734D+00 -0.144152D+00
      3  -0.983643D-01 -0.292923D-01  0.344481D+01 -0.810084D+00 -0.242253D+00
                51            52            53            54            55 
      1  -0.810084D+00 -0.142115D+00 -0.675527D+00  0.545121D+01  0.228521D+01
      2  -0.242253D+00 -0.675527D+00 -0.255299D-01  0.666258D+00 -0.135531D+00
      3   0.399459D+00  0.545121D+01  0.666258D+00  0.647619D+00 -0.120241D+01
                56            57            58            59            60 
      1  -0.135531D+00 -0.120241D+01 -0.393228D+01  0.128654D+01 -0.131066D+01
      2  -0.265241D+00 -0.784792D+00  0.128654D+01  0.659053D+01  0.231912D+01
      3  -0.784792D+00  0.329828D+01 -0.131066D+01  0.231912D+01 -0.142778D+01
                61            62            63            64            65 
      1  -0.114845D+01 -0.767505D+00  0.617199D+01 -0.301551D+01  0.137443D+01
      2  -0.767505D+00  0.150452D+01 -0.250272D+00  0.137443D+01  0.665797D-01
      3   0.617199D+01 -0.250272D+00 -0.196811D+01 -0.940211D+00  0.102032D+01
                66            67            68            69            70 
      1  -0.940211D+00  0.389408D+01 -0.143042D+01  0.754488D+00 -0.225358D+01
      2   0.102032D+01 -0.143042D+01 -0.471271D+01 -0.149614D+01  0.576772D+00
      3  -0.455400D+01  0.754488D+00 -0.149614D+01  0.502031D+00 -0.534189D+01
                71            72            73            74            75 
      1   0.576772D+00 -0.534189D+01  0.858902D+01  0.217239D+01 -0.385149D+00
      2  -0.675561D+00  0.237901D+00  0.217239D+01 -0.978033D+00  0.743133D+00
      3   0.237901D+00  0.202105D+01 -0.385149D+00  0.743133D+00 -0.384555D+01
                76            77            78            79            80 
      1   0.344667D+01 -0.748167D+00  0.539637D+00  0.435195D+01  0.890702D+00
      2  -0.748167D+00 -0.384144D+01 -0.348245D+01  0.890702D+00 -0.273658D+01
      3   0.539637D+00 -0.348245D+01  0.213086D+01 -0.481620D+01  0.140472D+01
                81            82            83            84            85 
      1  -0.481620D+01 -0.228674D+00 -0.150934D+00 -0.815895D+00 -0.914714D+00
      2   0.140472D+01 -0.150934D+00  0.217502D+00 -0.199478D+00 -0.316043D-01
      3   0.930286D+00 -0.815895D+00 -0.199478D+00  0.294130D+01  0.784613D-01
                86            87            88            89            90 
      1  -0.316043D-01  0.784613D-01 -0.168105D+01  0.558272D-01  0.123284D+01
      2   0.105884D+00 -0.811310D+00  0.558272D-01 -0.109783D+01  0.586924D+00
      3  -0.811310D+00 -0.394396D+00  0.123284D+01  0.586924D+00 -0.773710D+01
                91            92            93            94            95 
      1  -0.123185D-01 -0.139789D+01 -0.262586D+00 -0.214981D+01 -0.158197D+01
      2  -0.139789D+01 -0.102417D+01 -0.207214D+00 -0.158197D+01 -0.733112D+01
      3  -0.262586D+00 -0.207214D+00 -0.687858D+00 -0.158968D+00 -0.130982D+01
                96            97            98            99           100 
      1  -0.158968D+00 -0.212819D+00 -0.195801D+00 -0.986739D+00  0.360050D+00
      2  -0.130982D+01 -0.195801D+00 -0.133482D+01 -0.122604D+01 -0.867732D+00
      3  -0.150454D+01 -0.986739D+00 -0.122604D+01 -0.853555D+00  0.879737D+00
               101           102           103           104           105 
      1  -0.867732D+00  0.879737D+00 -0.127081D+01  0.263231D+00 -0.971305D-01
      2   0.873896D+00 -0.777424D+00  0.263231D+00 -0.205252D+01  0.235579D+01
      3  -0.777424D+00  0.226368D+01 -0.971305D-01  0.235579D+01 -0.295746D+01
               106           107           108           109           110 
      1   0.688693D+00 -0.323031D+00  0.627404D+00 -0.133135D+02 -0.168320D+01
      2  -0.323031D+00  0.198129D+01 -0.224691D+01 -0.168320D+01 -0.116225D+01
      3   0.627404D+00 -0.224691D+01  0.536149D+01  0.203564D+01  0.209787D+00
               111           112           113           114           115 
      1   0.203564D+01 -0.238456D+01 -0.155539D+01  0.420918D+00 -0.520840D+00
      2   0.209787D+00 -0.155539D+01 -0.432200D+00  0.565978D+00 -0.186097D-01
      3  -0.153181D+01  0.420918D+00  0.565978D+00 -0.666667D+00 -0.805003D+00
               116           117           118           119           120 
      1  -0.186097D-01 -0.805003D+00 -0.754002D+00  0.675805D+00  0.330469D+00
      2   0.926349D-01 -0.380905D+00  0.675805D+00  0.184721D+00 -0.216022D-01
      3  -0.380905D+00  0.498766D-01  0.330469D+00 -0.216022D-01  0.642185D+00
               121           122           123           124           125 
      1   0.172003D+01 -0.542954D+00 -0.759958D+00  0.361732D+00 -0.241492D+00
      2  -0.542954D+00  0.558760D+01  0.223902D+01 -0.241492D+00  0.158492D+01
      3  -0.759958D+00  0.223902D+01  0.238261D+01  0.811976D-01  0.118562D+01
               126           127           128           129           130 
      1   0.811976D-01 -0.370260D+01  0.243331D+01  0.340305D-01  0.276572D+01
      2   0.118562D+01  0.243331D+01 -0.251967D+01 -0.156523D+00 -0.292854D+01
      3   0.172555D+01  0.340305D-01 -0.156523D+00 -0.381639D+00 -0.299664D+00
               131           132           133           134           135 
      1  -0.292854D+01 -0.299664D+00  0.325262D-01 -0.362771D+00  0.261474D-01
      2   0.586629D+01  0.445215D+00 -0.362771D+00  0.550559D+00  0.163760D+00
      3   0.445215D+00  0.745487D+00  0.261474D-01  0.163760D+00  0.993373D-01
               136           137           138           139           140 
      1   0.225772D+01  0.266075D+01  0.350656D+00  0.231046D+01  0.392428D+01
      2   0.266075D+01  0.287636D+01  0.369575D+00  0.392428D+01  0.979728D+01
      3   0.350656D+00  0.369575D+00  0.358178D+00  0.486738D+00  0.111360D+01
               141           142           143           144           145 
      1   0.486738D+00  0.471992D+00  0.549186D+00  0.143350D+00  0.132833D+02
      2   0.111360D+01  0.549186D+00  0.124611D+01  0.208305D+00  0.145832D+01
      3   0.927959D+00  0.143350D+00  0.208305D+00  0.196454D+00  0.509629D+00
               146           147           148           149           150 
      1   0.145832D+01  0.509629D+00  0.134942D+01  0.172946D+01  0.260602D+00
      2   0.906540D+00  0.583687D-01  0.172946D+01  0.528298D+00  0.864429D-01
      3   0.583687D-01  0.851338D+00  0.260602D+00  0.864429D-01  0.134310D+00
               151           152           153           154           155 
      1   0.505105D+00  0.254908D+00 -0.727286D-01  0.516271D+01 -0.404025D+01
      2   0.254908D+00  0.399807D-01  0.116996D-01 -0.404025D+01  0.367428D+01
      3  -0.727286D-01  0.116996D-01 -0.173415D-01 -0.333064D+00  0.246663D+00
               156           157           158           159           160 
      1  -0.333064D+00 -0.388275D+01  0.458425D+01  0.472059D+00 -0.367559D+00
      2   0.246663D+00  0.458425D+01 -0.669466D+01 -0.613829D+00  0.456932D+00
      3   0.563328D+00  0.472059D+00 -0.613829D+00 -0.768023D+00  0.153885D+00
               161           162           163           164           165 
      1   0.456932D+00  0.153885D+00 -0.151067D+01 -0.180655D+01 -0.254459D+00
      2  -0.802311D+00 -0.989087D-01 -0.180655D+01 -0.221402D+01 -0.296106D+00
      3  -0.989087D-01 -0.964105D-01 -0.254459D+00 -0.296106D+00 -0.229045D+00
               166           167           168           169           170 
      1  -0.159416D+01 -0.198775D+01 -0.261408D+00 -0.120752D+00 -0.364466D+00
      2  -0.198775D+01 -0.895219D+01 -0.101187D+01 -0.364466D+00 -0.117729D+01
      3  -0.261408D+00 -0.101187D+01 -0.901834D+00  0.765241D-01 -0.249758D+00
               171           172           173           174           175 
      1   0.765241D-01 -0.127858D+01  0.205810D-01 -0.243560D+00  0.143752D+01
      2  -0.249758D+00  0.205810D-01 -0.988098D+00 -0.180238D+00 -0.968647D+00
      3  -0.131611D+00 -0.243560D+00 -0.180238D+00 -0.215528D+00  0.209714D+00
               176           177           178           179           180 
      1  -0.968647D+00  0.209714D+00  0.308054D+00 -0.226739D+00 -0.341564D-01
      2   0.636061D+01 -0.201027D+00 -0.226739D+00  0.104436D+01  0.649993D+00
      3  -0.201027D+00  0.146982D+01 -0.341564D-01  0.649993D+00  0.128442D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.674698D+00 -0.610243D+00  0.318514D+01 -0.103408D+01 -0.339833D+00
      2  -0.193565D+00  0.946458D+00  0.270380D+01 -0.259601D+00  0.215775D+01
      3   0.523921D+01 -0.896959D+01 -0.466336D+00  0.868442D+01  0.291553D+01
                 6             7             8             9            10 
      1  -0.226135D+01  0.627287D+01  0.393214D+01  0.510748D+00  0.923303D+00
      2  -0.760031D+01 -0.361147D+01 -0.973975D+01 -0.225053D+01  0.956552D+00
      3  -0.989974D+00  0.591795D+00 -0.159199D+01  0.515011D+01 -0.940313D+01
                11            12            13            14            15 
      1   0.757143D+00 -0.244392D+01  0.284296D+00  0.552392D+00 -0.328806D+01
      2   0.997864D+00 -0.177487D+01  0.126982D+01 -0.292937D+00 -0.157802D+01
      3  -0.501682D+01 -0.156442D+01  0.520158D+01  0.591236D+01 -0.136842D+00
                16            17            18            19            20 
      1  -0.446533D+01  0.906957D+00 -0.455824D+00 -0.137662D+01 -0.346128D-01
      2  -0.123051D+02 -0.215973D+01 -0.113946D+01 -0.314496D+01 -0.867786D-01
      3  -0.371281D+00 -0.636468D+00  0.532631D+01  0.457430D+01  0.630777D+01
                21            22            23            24            25 
      1  -0.243302D-02 -0.806935D+00 -0.192827D+01  0.181638D+01 -0.580790D+00
      2  -0.178520D+01 -0.496131D+00  0.848592D+00 -0.955237D+00 -0.169933D+02
      3   0.261738D+00  0.169511D+02  0.766883D+00 -0.176748D+00 -0.137531D+01
                26            27            28            29            30 
      1   0.102220D+02  0.191070D+01  0.667161D-01 -0.213341D+00  0.328106D+01
      2   0.188259D+00 -0.182013D+01  0.581401D+00  0.421530D+00 -0.162906D+01
      3  -0.561267D+00  0.816567D+00 -0.125916D+01  0.337727D+00  0.294354D+00
                31            32            33            34            35 
      1   0.476485D-01  0.107376D+00 -0.201207D+01  0.670143D+01  0.353391D+01
      2   0.179177D+01  0.128569D+00  0.122532D+01 -0.120795D+02  0.378724D+00
      3  -0.515170D+00 -0.576018D+01  0.108197D+00 -0.800868D+00  0.705270D+00
                36            37            38            39            40 
      1   0.244029D+00 -0.278313D+00  0.894248D+00 -0.239207D+01  0.751224D+00
      2   0.234529D+00 -0.261041D+00  0.113813D+01 -0.658785D-01  0.446639D+00
      3  -0.596051D+01  0.491036D+01 -0.140705D+02 -0.119254D+01  0.446041D+01
                41            42            43            44            45 
      1   0.118175D+00 -0.416030D+01 -0.512685D+01  0.882103D+00 -0.678432D+00
      2  -0.182601D+01  0.656164D+01 -0.794350D+01  0.921675D+01  0.245695D+01
      3  -0.347534D+00  0.121983D+01  0.504023D+00  0.149837D+01 -0.469261D+01
                46            47            48            49            50 
      1   0.305773D+00 -0.157381D+00 -0.112189D+01 -0.235487D+00 -0.129025D+01
      2  -0.137225D+00 -0.369862D+00  0.927825D+01 -0.293718D+01 -0.223160D+00
      3  -0.350867D+01 -0.711104D+01  0.533765D-01  0.108845D+02 -0.412081D+01
                51            52            53            54            55 
      1   0.318630D+01 -0.199243D+01  0.110008D+02  0.167603D+01 -0.694912D+00
      2   0.199045D+01  0.814843D+01  0.226069D+01  0.146540D+01  0.556419D+01
      3   0.312189D+00  0.198772D+01  0.183671D-01 -0.149762D+01 -0.415187D+01
                56            57            58            59            60 
      1  -0.262580D+00  0.336814D+00  0.121048D+01  0.202682D+01 -0.275046D+01
      2   0.132692D+01 -0.362801D+01 -0.438447D+00 -0.575414D+01  0.265322D+01
      3   0.110046D+01 -0.661228D+00  0.117442D+02  0.137614D+02  0.651265D+01
                61            62            63            64            65 
      1   0.125731D+01  0.208778D+01 -0.145752D+01 -0.903385D+00  0.270570D+01
      2  -0.164209D+02  0.642396D+00  0.302027D+01 -0.179041D+01 -0.159859D+01
      3   0.851820D+00  0.693239D+01 -0.450027D+01  0.707039D+01 -0.960915D+01
                66            67            68            69            70 
      1   0.123093D+01 -0.184285D+00  0.826210D+01 -0.208842D+01 -0.386989D+00
      2   0.193502D+02  0.128830D+01  0.274278D+01 -0.269702D+00  0.857194D+01
      3   0.381293D+01 -0.202862D+01 -0.164385D+02 -0.403401D+01  0.142169D+01
                71            72            73            74            75 
      1   0.544562D+01 -0.283645D+01  0.324249D+01 -0.252156D+01  0.392789D+00
      2   0.759701D+00 -0.121885D+02 -0.127096D+02 -0.488304D+01  0.145716D+02
      3  -0.535694D+01 -0.692300D+00  0.599770D+01 -0.729084D+01  0.109779D+01
                76            77            78            79            80 
      1  -0.137293D+00 -0.710382D+01 -0.880522D+01 -0.104302D+01 -0.369785D+01
      2  -0.340295D+01  0.112734D+02 -0.631166D+01  0.871159D+01 -0.480925D+01
      3  -0.837568D+00 -0.126263D+02 -0.111516D+02 -0.657222D+00 -0.106775D+02
                81            82            83            84            85 
      1   0.452641D+01 -0.221622D-01 -0.154065D+01 -0.146585D+01 -0.740748D+00
      2   0.413327D+01  0.462355D+01  0.425350D-01 -0.872697D+01 -0.169260D+01
      3   0.648676D+01 -0.910587D+00  0.873438D+00 -0.546605D+00  0.128667D+01
                86            87            88            89            90 
      1  -0.241884D+00  0.490203D-02 -0.846783D+00  0.266123D+01  0.221144D+01
      2   0.163682D+01  0.102518D+01 -0.876606D+01 -0.169763D+01  0.220008D+02
      3   0.697551D+00 -0.122973D+01 -0.484789D+00 -0.167309D+01  0.329403D+01
                91            92            93            94            95 
      1  -0.751811D-01 -0.162680D+00 -0.739018D+00 -0.266914D+00  0.963590D-01
      2   0.233486D+00  0.228861D+00  0.208054D+01 -0.315731D-01  0.279990D+01
      3  -0.391133D+01 -0.246791D+01 -0.284043D+00  0.227265D+01 -0.142371D+02
                96            97            98            99           100 
      1  -0.337341D+01 -0.402952D+00  0.874769D+00 -0.952722D+00 -0.142997D+01
      2   0.304996D+01  0.250291D+00  0.179979D+01  0.164623D+01 -0.450394D+01
      3  -0.304996D+01  0.196690D+00 -0.277629D+01 -0.138257D+01 -0.315729D+01
               101           102           103           104           105 
      1   0.230947D+01 -0.103500D+00  0.117594D+01 -0.323296D+01  0.136679D+01
      2   0.324880D+01 -0.605627D+01  0.325633D+01 -0.668657D+01  0.758639D+01
      3   0.241839D+01 -0.219824D+01  0.308363D+01 -0.482348D+01  0.589351D+01
               106           107           108           109           110 
      1  -0.133349D+00  0.461135D+01 -0.191578D+01 -0.174944D+01 -0.230621D+01
      2  -0.563130D+01  0.644332D+01 -0.140061D+02  0.109995D+02  0.169540D+01
      3  -0.142710D+01  0.491191D+01 -0.622998D+01 -0.108033D+01 -0.617214D+01
               111           112           113           114           115 
      1  -0.702071D+00 -0.185585D+01 -0.643308D-01 -0.225251D+00 -0.110812D+00
      2   0.530877D+01  0.184602D+01 -0.100906D-01  0.190396D+01  0.960591D+00
      3   0.764310D-01 -0.258346D+01 -0.725085D+00  0.142919D+01  0.253563D+00
               116           117           118           119           120 
      1   0.905566D+00 -0.590618D+00  0.147008D+01  0.750398D+00 -0.222895D+00
      2   0.891439D+00  0.928028D+00 -0.856004D+00 -0.967917D+00 -0.151835D+01
      3   0.131139D+01 -0.842768D+00  0.261597D+01  0.940223D+00  0.179255D+00
               121           122           123           124           125 
      1   0.106708D+00  0.108075D+02  0.118277D+01 -0.194879D+00  0.424471D+01
      2  -0.138162D+01 -0.615458D+01 -0.525818D+01 -0.185727D+01 -0.259738D+01
      3   0.203143D+01  0.165811D+02  0.611611D+01 -0.174584D+00  0.443714D+01
               126           127           128           129           130 
      1   0.163223D+01  0.696379D+00 -0.437324D+00  0.235147D+01  0.282856D+00
      2  -0.423867D+01  0.116580D+01 -0.429475D+00  0.880456D+00 -0.629820D+00
      3   0.305061D+01 -0.108845D+02  0.431393D+01 -0.171870D+00  0.763018D+01
               131           132           133           134           135 
      1   0.127980D+00 -0.319625D+01  0.784260D-02  0.193066D+01  0.308919D-01
      2   0.591535D+00 -0.153837D+01 -0.198037D+01  0.315853D+00 -0.134475D+00
      3  -0.575088D+01 -0.913733D+00 -0.829138D+00 -0.850467D+00 -0.264372D+00
               136           137           138           139           140 
      1  -0.626424D-01  0.115082D-01 -0.164852D+01 -0.665422D-01  0.310269D+00
      2   0.739100D-01  0.306354D+00  0.145252D+01  0.290159D+00  0.156201D+01
      3  -0.695748D+00 -0.252907D+01 -0.241192D+00 -0.148421D+01 -0.143027D+02
               141           142           143           144           145 
      1  -0.439163D+01  0.572450D+00  0.182369D+01 -0.367040D+00 -0.570951D-01
      2   0.277806D+01 -0.723722D+00 -0.249115D+00  0.452792D+00  0.577137D+00
      3  -0.148792D+01 -0.243436D+00 -0.172834D+01 -0.293393D+00 -0.868165D+00
               146           147           148           149           150 
      1   0.183529D+00 -0.678264D+00 -0.110556D-01  0.183034D-01 -0.416115D+00
      2   0.127969D-01  0.600483D+01  0.930962D+00  0.206872D+00  0.885334D+00
      3  -0.533913D+01  0.107513D-01 -0.385869D+01 -0.168624D+01 -0.242977D+00
               151           152           153           154           155 
      1   0.535535D+00  0.634456D+00  0.391814D-03  0.128282D+00 -0.364570D+00
      2  -0.324889D+01 -0.255034D+00 -0.148181D-01 -0.554427D-01 -0.342055D-02
      3  -0.854433D+00 -0.396739D+00  0.924883D-01  0.164972D+01 -0.495152D+01
               156           157           158           159           160 
      1   0.229529D+01  0.217764D+00  0.157352D-01 -0.330686D+01 -0.782746D+00
      2   0.288793D+01  0.590247D+00 -0.957967D+00 -0.324265D+01 -0.973814D+00
      3  -0.146106D+00 -0.355596D+01  0.111759D+02  0.850783D+00 -0.757866D+00
               161           162           163           164           165 
      1   0.159420D+01 -0.132225D+00  0.118137D+00  0.997506D-02 -0.152523D+01
      2   0.524353D+00 -0.313550D+00 -0.809790D+00 -0.650232D+00  0.333136D+00
      3   0.140142D+01 -0.616444D-01  0.632925D+01  0.418124D+01  0.583759D+00
               166           167           168           169           170 
      1  -0.416451D-02  0.418492D+00 -0.424235D+01  0.461103D+00  0.203243D+01
      2  -0.678168D+00 -0.126546D+01  0.583876D+00 -0.174801D+01 -0.249505D+00
      3   0.722840D+01  0.910681D+01  0.124596D+01  0.113001D+01  0.125629D+01
               171           172           173           174           175 
      1  -0.331632D+00  0.373251D+00  0.989192D+00 -0.278334D-01  0.821528D+00
      2   0.764060D-02  0.131310D+00 -0.770559D-01 -0.114329D+00  0.237849D+00
      3   0.824936D-01  0.154953D+01 -0.143804D+01 -0.184774D+00  0.167226D+01
               176           177           178           179           180 
      1  -0.995944D+01 -0.259255D+01  0.152776D+00 -0.113389D+01 -0.173767D+01
      2  -0.777277D+00 -0.348926D+01 -0.627330D+00 -0.156046D+01 -0.689335D+00
      3   0.197977D+02  0.174751D+00  0.103872D+01  0.377652D+01  0.211869D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.303628D+01  0.256993D+02  0.308268D+01 -0.285145D+02  0.508698D+01
      2  -0.513670D+00 -0.161867D+02  0.261059D+00  0.292699D+02 -0.102056D+02
      3   0.354995D+01 -0.951265D+01 -0.334374D+01 -0.755403D+00  0.511866D+01
      4   0.154307D+02  0.154848D+01  0.657619D+00 -0.668493D+00  0.107229D+02
      5   0.700668D+00  0.579562D+00  0.507725D+01 -0.296255D+01  0.504534D+01
      6   0.844024D-01 -0.919914D+00 -0.809635D+01  0.424220D+01 -0.414528D+01
                 6             7             8             9            10 
      1   0.806541D+00 -0.410675D+01  0.215898D+01  0.115541D+01  0.155992D+02
      2  -0.995909D+00  0.554739D+01 -0.467540D+01 -0.847428D+01 -0.105547D+02
      3   0.189368D+00 -0.144064D+01  0.251642D+01  0.731887D+01 -0.504449D+01
      4   0.515627D+01 -0.194342D+01  0.507591D+01 -0.152690D+02 -0.478418D+01
      5  -0.162238D+02  0.201815D+02 -0.155919D+02 -0.482248D+01 -0.208166D+00
      6   0.503397D+01 -0.733404D+01  0.131130D+02 -0.194062D+00 -0.581683D+00
                11            12            13            14            15 
      1  -0.118481D+02 -0.392939D+00  0.819053D+00  0.100934D+02  0.228052D+01
      2   0.854669D+01 -0.735006D+00 -0.103805D+02 -0.172177D+02 -0.484367D+01
      3   0.330138D+01  0.112794D+01  0.956140D+01  0.712435D+01  0.256315D+01
      4  -0.170401D+02 -0.153090D+01  0.102697D+02 -0.148068D+02 -0.902547D+00
      5  -0.142724D+01 -0.470713D+01  0.507821D+00 -0.106577D+01 -0.752292D+00
      6  -0.832431D+00  0.540908D+01 -0.274364D+01 -0.609659D+01  0.748449D+01
                16            17            18            19            20 
      1   0.122185D+01  0.191295D+01 -0.153830D+02 -0.202924D+02 -0.452769D+01
      2  -0.290063D+01 -0.593319D+01  0.200668D+01  0.559412D+01  0.278253D+01
      3   0.167878D+01  0.402025D+01  0.133764D+02  0.146983D+02  0.174516D+01
      4  -0.857675D+00 -0.159063D+01 -0.708669D+01 -0.262175D+01  0.211028D+01
      5   0.631721D+01 -0.550684D+01 -0.167679D+01 -0.263086D+01 -0.614741D+00
      6   0.175848D+01  0.158514D+02  0.266239D+01 -0.163372D+01  0.372240D+00
                21            22            23            24            25 
      1  -0.169059D+01  0.649715D+00 -0.124045D+02 -0.600080D+00 -0.215595D+01
      2  -0.461238D+00 -0.469885D+01  0.204955D+02  0.440675D+01 -0.118202D+01
      3   0.215183D+01  0.404913D+01 -0.809098D+01 -0.380667D+01  0.333797D+01
      4  -0.292751D+00 -0.127595D+02 -0.906894D+00  0.418755D+00 -0.289933D+01
      5   0.210971D+01 -0.386234D+01 -0.299387D-01 -0.171344D+01  0.696137D+01
      6   0.255119D+01 -0.233525D+01  0.328984D+01 -0.441454D+01  0.262405D+01
                26            27            28            29            30 
      1  -0.182120D+01 -0.612614D+01 -0.276436D+01  0.178882D+02  0.242963D+01
      2   0.291694D+01 -0.549935D+01  0.132288D+01 -0.124191D+02  0.989783D+00
      3  -0.109575D+01  0.116255D+02  0.144148D+01 -0.546910D+01 -0.341941D+01
      4   0.177284D+01  0.199529D+00  0.136728D+02 -0.116462D+02 -0.330448D+00
      5   0.561480D-01 -0.150550D+01 -0.262160D+00 -0.539958D+00 -0.312516D+01
      6   0.497011D+01 -0.148047D+01  0.950591D+00 -0.538878D+00 -0.770073D+01
                31            32            33            34            35 
      1  -0.663849D+01  0.549794D+01  0.253810D+01 -0.180326D+01  0.286224D+01
      2   0.170110D+02 -0.958280D+01 -0.165881D+01  0.478349D+01 -0.393511D+01
      3  -0.103725D+02  0.408485D+01 -0.879286D+00 -0.298022D+01  0.107288D+01
      4   0.559222D+01  0.150909D+02  0.183526D+01  0.172146D+01  0.595498D+00
      5   0.833105D+00  0.199869D+01 -0.106214D+01  0.134466D+01  0.144484D+01
      6   0.499995D+01 -0.297077D+01  0.485971D+01 -0.627414D+01  0.108753D+02
                36            37            38            39            40 
      1  -0.143218D+02  0.127904D+02 -0.222505D+02 -0.187106D+01  0.205049D+02
      2   0.179424D+01 -0.124722D+02  0.144021D+02  0.745365D-01 -0.198785D+02
      3   0.125275D+02 -0.318157D+00  0.784833D+01  0.179652D+01 -0.626367D+00
      4   0.330321D+01 -0.181839D+02 -0.606541D+01 -0.170596D+01  0.117813D+02
      5  -0.544275D+00 -0.130663D+01 -0.129729D+01 -0.183245D+01 -0.793560D+00
      6  -0.816905D-01 -0.238746D+01 -0.453198D+00  0.515441D+01 -0.303821D+01
                41            42            43            44            45 
      1   0.122067D+02  0.175611D+01  0.216948D+01  0.392919D+00 -0.615284D+01
      2  -0.195423D+02 -0.435459D+01 -0.398985D+01 -0.509115D+01 -0.341915D+01
      3   0.733566D+01  0.259849D+01  0.182037D+01  0.469823D+01  0.957199D+01
      4  -0.579054D+01 -0.408056D+01 -0.207376D+01 -0.533762D+01  0.146748D+02
      5  -0.395122D+01  0.135106D+02  0.131139D+02  0.151590D+02  0.504368D+01
      6  -0.681380D+01  0.883822D+01  0.658336D+01  0.164916D+02  0.194435D+01
                46            47            48            49            50 
      1  -0.150311D+02 -0.505461D+01 -0.271483D+01  0.110954D+02 -0.230858D+02
      2   0.912975D+01  0.326351D+01  0.917373D+00 -0.111833D+02  0.222218D+02
      3   0.590138D+01  0.179110D+01  0.179745D+01  0.879261D-01  0.864045D+00
      4  -0.223320D+01  0.224736D+02  0.254300D-01 -0.213349D+02 -0.204099D+01
      5  -0.318529D+01 -0.307168D+00  0.210491D+02 -0.643673D+01 -0.144909D+01
      6   0.491316D+00 -0.565132D-01  0.280119D+01 -0.168672D+01  0.311628D+01
                51            52            53            54            55 
      1  -0.446008D+01 -0.149464D+01 -0.440180D+01  0.135995D+02  0.133450D+02
      2   0.573460D+01 -0.863326D+00  0.340711D+01 -0.174612D+02 -0.499224D+01
      3  -0.127452D+01  0.235796D+01  0.994691D+00  0.386170D+01 -0.835271D+01
      4  -0.176836D+01 -0.705492D+01 -0.784719D+00  0.371933D+01  0.437529D+01
      5   0.430096D+01  0.375205D+02  0.389333D+01  0.322870D+01  0.558158D+01
      6  -0.583705D+01  0.242170D+01  0.599285D+01 -0.241409D+01 -0.810477D+00
                56            57            58            59            60 
      1  -0.398955D+00  0.554270D+00  0.161521D+02  0.631927D+01  0.527118D+01
      2  -0.363511D+00 -0.388358D+01 -0.156736D+02 -0.158794D+02 -0.832826D+01
      3   0.762467D+00  0.332931D+01 -0.478510D+00  0.956015D+01  0.305708D+01
      4  -0.721673D+01  0.218009D+01 -0.760778D+01 -0.276397D+02 -0.116220D+02
      5   0.157791D+01 -0.176863D+02  0.110440D+02 -0.999421D+01  0.948916D+01
      6  -0.115285D+01  0.128614D+01 -0.371860D+01 -0.490756D+01  0.570546D+00
                61            62            63            64            65 
      1  -0.329482D+01  0.282554D+01 -0.111206D+02  0.217180D+02 -0.728414D+00
      2  -0.368018D+01 -0.328439D+01  0.135056D+02 -0.110450D+02 -0.983084D+00
      3   0.697500D+01  0.458843D+00 -0.238498D+01 -0.106730D+02  0.171150D+01
      4   0.644636D+01 -0.108610D+02  0.255847D+01 -0.823807D+01  0.126480D+02
      5  -0.398795D+02  0.182469D+01  0.668030D+01  0.880520D+01 -0.543566D+01
      6  -0.469417D-01 -0.402138D+01  0.121947D+01 -0.468828D+01  0.445869D+01
                66            67            68            69            70 
      1  -0.721065D+01 -0.110290D+02  0.940854D+01 -0.275996D+01 -0.233168D+01
      2  -0.690257D+01  0.907333D+01 -0.128434D+02  0.593939D+00 -0.942438D+01
      3   0.141132D+02  0.195568D+01  0.343486D+01  0.216602D+01  0.117561D+02
      4  -0.401103D+01  0.165741D+02  0.222834D+02  0.965317D+01 -0.395232D+01
      5   0.277747D+02 -0.814769D+01  0.113861D+02 -0.441780D+01  0.356662D+02
      6  -0.410468D+01  0.701315D+01  0.730420D+01  0.609773D+01 -0.352908D+01
                71            72            73            74            75 
      1   0.138299D+01  0.260320D+02 -0.530600D+02 -0.141164D+02  0.141815D+02
      2  -0.300330D+01 -0.107875D+02  0.244335D+02  0.495378D+01  0.629411D+00
      3   0.162031D+01 -0.152445D+02  0.286265D+02  0.916257D+01 -0.148109D+02
      4   0.887222D+01 -0.479374D+01 -0.180116D+02  0.558739D+01 -0.162904D+01
      5  -0.175602D+01  0.909919D+01  0.174771D+02  0.172044D+01  0.156951D+02
      6   0.686687D+01 -0.150656D+01  0.696213D+01 -0.523546D+01  0.340714D+01
                76            77            78            79            80 
      1  -0.163553D+02  0.133361D+02 -0.614615D+01  0.102521D+01 -0.866362D+01
      2   0.988599D+01 -0.223757D+01 -0.150356D+01  0.109774D+02  0.249862D+00
      3   0.646936D+01 -0.110986D+02  0.764971D+01 -0.120026D+02  0.841375D+01
      4   0.286665D+01  0.209723D+02  0.158067D+02 -0.359091D+01  0.141061D+02
      5   0.280777D+01  0.118944D+02 -0.579969D+01  0.259450D+02 -0.332367D+01
      6  -0.130060D+01 -0.995543D+01 -0.130634D+02  0.315917D+01 -0.101407D+02
                81            82            83            84            85 
      1   0.196194D+02  0.189407D+01  0.949967D-02  0.127494D+02  0.398965D+01
      2  -0.142979D+02 -0.316257D+01  0.277951D+00  0.313204D+01 -0.184685D+01
      3  -0.532151D+01  0.126850D+01 -0.287450D+00 -0.158814D+02 -0.214280D+01
      4  -0.504734D+01  0.590371D+00 -0.145013D+01 -0.518927D+00  0.950889D+00
      5  -0.140849D+02  0.221188D+01  0.101998D+01 -0.637455D+01  0.388188D+00
      6   0.838785D+01  0.632505D+00 -0.169335D+01  0.115765D+01 -0.284231D+00
                86            87            88            89            90 
      1  -0.385724D+01 -0.469682D+00  0.119431D+02  0.200489D+01 -0.283992D+02
      2   0.101423D+01 -0.103156D+00 -0.154782D+01 -0.591873D+00 -0.956777D+01
      3   0.284301D+01  0.572838D+00 -0.103953D+02 -0.141302D+01  0.379669D+02
      4  -0.984919D+00  0.260162D+01 -0.213941D+01  0.291251D+01 -0.749890D-01
      5   0.183923D+01  0.522638D+00  0.102837D+01 -0.210740D+01  0.220016D+02
      6  -0.628300D+00  0.587099D+01  0.820034D+00  0.468564D+01 -0.502735D+01
                91            92            93            94            95 
      1   0.161443D+01  0.363631D+01  0.118498D+01  0.776892D+00 -0.140573D+02
      2   0.304259D+01 -0.517136D-01  0.117897D+00  0.371313D+01  0.275943D+02
      3  -0.465703D+01 -0.358460D+01 -0.130288D+01 -0.449002D+01 -0.135370D+02
      4   0.822127D+01  0.105128D+02  0.197361D+01  0.109029D+02  0.316742D+02
      5   0.188997D+01  0.198508D+01  0.515608D+01  0.125149D+01  0.501943D+01
      6   0.239112D+01  0.880368D+00  0.411840D+00  0.110387D+01  0.816945D+01
                96            97            98            99           100 
      1  -0.269684D+01  0.929412D+00 -0.265086D+01 -0.310682D+01 -0.266151D+01
      2   0.411230D+01  0.556344D+00  0.284147D+01  0.210908D+01 -0.432045D+00
      3  -0.141546D+01 -0.148576D+01 -0.190617D+00  0.997744D+00  0.309355D+01
      4   0.567511D+01  0.191821D+01  0.567282D+01  0.507086D+01  0.233169D+01
      5   0.656694D+01  0.620590D+01  0.466232D+01  0.305013D+01 -0.658338D-01
      6   0.570902D+01  0.143580D+01  0.825449D+01  0.369917D+01 -0.387545D+01
               101           102           103           104           105 
      1   0.698705D+01 -0.110769D+02  0.682192D+01 -0.122113D+02  0.117239D+02
      2  -0.259405D+01 -0.325478D+00 -0.366397D+01  0.520002D+01  0.194188D+00
      3  -0.439300D+01  0.114023D+02 -0.315796D+01  0.701133D+01 -0.119181D+02
      4  -0.209395D+01  0.146286D+01  0.155251D+01  0.724189D+01 -0.944632D+01
      5  -0.460712D+00 -0.312981D+01 -0.398753D+01 -0.690663D+01  0.971439D+01
      6   0.476457D+01 -0.486792D+01  0.127876D+01 -0.109747D+02  0.136203D+02
               106           107           108           109           110 
      1  -0.607190D+01  0.104622D+02 -0.229586D+02  0.827058D+02  0.970214D+01
      2   0.777770D+00  0.521951D+00 -0.609590D+01 -0.435599D+02 -0.368055D+01
      3   0.529414D+01 -0.109841D+02  0.290545D+02 -0.391459D+02 -0.602159D+01
      4   0.745385D-01 -0.827222D+01  0.866910D+01  0.167593D+02  0.124368D+02
      5   0.378508D+01  0.702798D+01 -0.160643D+02 -0.332053D+02 -0.418688D+01
      6  -0.163982D+01  0.117106D+02 -0.146071D+02 -0.541357D+01 -0.392120D+01
               111           112           113           114           115 
      1  -0.820149D+01  0.118689D+02  0.687288D+01 -0.638254D-01  0.238987D+01
      2   0.813039D+01 -0.471756D+01 -0.245152D+01  0.139358D+01  0.132514D+01
      3   0.711037D-01 -0.715137D+01 -0.442135D+01 -0.132975D+01 -0.371501D+01
      4  -0.229957D+01  0.145585D+02  0.464160D+01 -0.329885D+01  0.248207D+00
      5   0.155477D+02 -0.586785D+01 -0.465091D+01  0.392014D+01  0.918114D+01
      6   0.153255D+01 -0.367482D+01 -0.895561D+00  0.316297D+01  0.955809D+00
               116           117           118           119           120 
      1   0.954753D+00  0.475447D+01  0.492817D+01 -0.286101D+01 -0.436318D+01
      2   0.627257D+00 -0.366153D+01 -0.193302D+01  0.185250D+01  0.552671D+00
      3  -0.158201D+01 -0.109294D+01 -0.299515D+01  0.100852D+01  0.381051D+01
      4  -0.958029D+00  0.273381D+01 -0.226223D+01  0.150645D+01  0.845894D+00
      5   0.218490D+01 -0.233960D+01 -0.311931D+01  0.203390D+01 -0.394038D+00
      6   0.208221D+01 -0.113621D+01  0.217645D+01  0.862309D+00  0.701097D-02
               121           122           123           124           125 
      1  -0.542190D+01 -0.930078D+01 -0.418916D+01 -0.194916D+01 -0.344848D+01
      2   0.336021D+01  0.820164D+01 -0.167623D+01  0.112656D+01 -0.808151D+00
      3   0.206170D+01  0.109915D+01  0.586539D+01  0.822603D+00  0.425663D+01
      4   0.639179D+01 -0.281883D+02 -0.111169D+02  0.152765D+01 -0.780127D+01
      5   0.736086D+01 -0.951337D+01 -0.114632D+02  0.222101D+01 -0.530746D+01
      6  -0.179354D+01  0.196565D+02  0.115135D+02 -0.112372D+01  0.100097D+02
               126           127           128           129           130 
      1  -0.725583D+01 -0.467360D+01  0.719040D+01  0.660189D+00  0.790710D+01
      2  -0.521365D+00  0.657772D+01 -0.102976D+02 -0.688235D+00 -0.112475D+02
      3   0.777719D+01 -0.190412D+01  0.310717D+01  0.280465D-01  0.334040D+01
      4  -0.574553D+01 -0.884176D+01  0.862391D+01  0.554164D+00  0.857646D+01
      5  -0.652125D+01  0.118820D+00  0.626356D+00  0.210763D+01  0.729944D+00
      6   0.582585D+01  0.525272D+00 -0.589711D+00 -0.226725D+01 -0.121525D+01
               131           132           133           134           135 
      1  -0.209939D+02 -0.200953D+01  0.115079D+01 -0.172990D+01 -0.641113D+00
      2   0.286572D+02  0.158922D+01 -0.157736D+01  0.207665D+01  0.129351D+01
      3  -0.766334D+01  0.420308D+00  0.426577D+00 -0.346757D+00 -0.652398D+00
      4  -0.897877D+01 -0.422445D+00  0.914578D+00 -0.384062D+00 -0.208820D+01
      5  -0.583760D+00 -0.176324D+01  0.890017D+00 -0.622865D+00 -0.338980D+00
      6   0.263970D+01  0.487938D+01 -0.495619D+00  0.190021D+01  0.840694D+00
               136           137           138           139           140 
      1   0.535205D+01  0.440359D+01  0.489259D+00 -0.139779D+01 -0.170442D+02
      2   0.395198D+01  0.606980D+01  0.288543D+00  0.128280D+02  0.414465D+02
      3  -0.930403D+01 -0.104734D+02 -0.777801D+00 -0.114303D+02 -0.244023D+02
      4   0.187100D+02  0.237484D+02  0.274821D+01  0.250308D+02  0.488818D+02
      5   0.236186D+01  0.271129D+01  0.368569D+01  0.288571D+01  0.516168D+01
      6   0.182161D+01  0.217095D+01  0.232654D+01  0.299837D+01  0.735540D+01
               141           142           143           144           145 
      1  -0.202987D+01 -0.220739D-01 -0.172093D+01 -0.134381D+01  0.100523D+03
      2   0.333231D+01  0.125421D+01  0.414911D+01  0.256036D+01 -0.562870D+02
      3  -0.130245D+01 -0.123213D+01 -0.242818D+01 -0.121655D+01 -0.442364D+02
      4   0.537093D+01  0.330997D+01  0.618314D+01  0.250245D+01  0.158585D+02
      5   0.465871D+01  0.129507D+01  0.174891D+01  0.124145D+01  0.513532D+01
      6   0.738529D+01  0.161947D+01  0.306836D+01  0.181882D+01 -0.930118D+00
               146           147           148           149           150 
      1   0.100609D+02  0.332227D+01  0.853742D+01  0.984700D+01  0.103635D+01
      2  -0.493109D+01 -0.221950D+01 -0.358975D+01 -0.434052D+01 -0.821469D+00
      3  -0.512977D+01 -0.110277D+01 -0.494767D+01 -0.550648D+01 -0.214884D+00
      4   0.998714D+01  0.508572D+00  0.164561D+02  0.506896D+01  0.800529D+00
      5   0.504951D+00  0.969206D+01  0.217767D+01  0.817999D+00  0.130424D+01
      6   0.124890D+00  0.812879D+00  0.456094D+00  0.319115D-01  0.154162D+01
               151           152           153           154           155 
      1   0.394467D+01  0.111788D+01  0.311461D+01  0.227856D+02 -0.142365D+02
      2  -0.208414D+01 -0.546125D+00 -0.173412D+01 -0.377186D+01 -0.125071D+01
      3  -0.186054D+01 -0.571752D+00 -0.138049D+01 -0.190137D+02  0.154872D+02
      4   0.238206D+01  0.844876D+00  0.555307D+00 -0.344373D+02  0.314583D+02
      5   0.157393D+01  0.219664D+00  0.297727D+00 -0.336603D+01  0.240822D+01
      6   0.116872D+00  0.394963D+00  0.245550D+00  0.129824D+01 -0.104749D+01
               156           157           158           159           160 
      1  -0.138486D+01 -0.945872D+01  0.382340D+01  0.412556D+00 -0.518574D+00
      2   0.501152D+00 -0.690902D+01  0.173154D+02  0.452971D+00 -0.754756D+00
      3   0.883712D+00  0.163677D+02 -0.211388D+02 -0.865526D+00  0.127333D+01
      4   0.225678D+01  0.348774D+02 -0.449584D+02 -0.391528D+01  0.348916D+01
      5   0.563143D+01  0.367757D+01 -0.417921D+01 -0.503743D+01  0.193066D+01
      6  -0.305165D+01 -0.227985D+01  0.313704D+01  0.545067D+01 -0.155767D+01
               161           162           163           164           165 
      1   0.857527D-01  0.197818D+00 -0.532066D+01 -0.922242D+01 -0.133646D+01
      2   0.162787D+01  0.113530D+01  0.708249D+01  0.113564D+02  0.978961D+00
      3  -0.171363D+01 -0.133311D+01 -0.176183D+01 -0.213396D+01  0.357497D+00
      4  -0.435215D+01 -0.251250D+01  0.344131D+01  0.738509D+01  0.698985D+00
      5  -0.199432D+01 -0.925899D+00  0.461588D+00  0.565881D+00  0.138124D+01
      6   0.208039D+01  0.949255D+00  0.128667D+01  0.191601D+01  0.211780D+01
               166           167           168           169           170 
      1  -0.736022D+01 -0.347092D+02 -0.416870D+01 -0.132439D+01 -0.449229D+01
      2   0.926337D+01  0.476108D+02  0.418936D+01  0.156663D+01  0.554352D+01
      3  -0.190315D+01 -0.129016D+02 -0.206539D-01 -0.242234D+00 -0.105124D+01
      4   0.513628D+01 -0.127078D+01 -0.492599D+00  0.771900D+00 -0.506276D-01
      5   0.617354D+00 -0.664259D+00  0.202131D+00  0.148331D+00  0.644148D+00
      6   0.138191D+01  0.714223D+01  0.697769D+01  0.502927D+00  0.285733D+01
               171           172           173           174           175 
      1  -0.187495D+01  0.561503D+01 -0.628403D+00  0.277560D+01 -0.279925D+01
      2   0.282175D+01 -0.342630D+01 -0.599494D+00 -0.195161D+01 -0.911142D+00
      3  -0.946799D+00 -0.218874D+01  0.122790D+01 -0.823990D+00  0.371039D+01
      4   0.138135D+01  0.117607D-02  0.447350D+01  0.100271D+01  0.737639D+01
      5   0.242660D+00  0.349567D+01  0.113238D+01  0.145442D+01 -0.222321D+01
      6   0.168166D+01  0.170045D+01  0.890981D+00  0.111316D+01  0.148649D+01
               176           177           178           179           180 
      1  -0.748609D+01  0.203777D+01 -0.294541D+00  0.103714D+01 -0.253030D+01
      2   0.198601D+02  0.174819D+01 -0.503879D+00  0.217607D+01  0.155184D+01
      3  -0.123740D+02 -0.378596D+01  0.798420D+00 -0.321320D+01  0.978459D+00
      4  -0.312337D+02  0.637591D+00  0.170765D+01 -0.564354D+01 -0.275021D+01
      5  -0.174547D+00 -0.595680D+01  0.109290D+01 -0.287703D+01 -0.117139D+01
      6  -0.118582D+02  0.343148D+01 -0.218302D+00  0.194452D+01 -0.231262D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.390801D+00      0.993318D+00      0.331335D+01
   x          0.360882D+00      0.917270D+00      0.305968D+01
   y          0.147143D+00      0.374000D+00      0.124753D+01
   z          0.289654D-01      0.736228D-01      0.245579D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.993223D+02      0.147180D+02      0.163760D+02
   aniso      0.479397D+02      0.710394D+01      0.790420D+01
   xx         0.125906D+03      0.186573D+02      0.207590D+02
   yx        -0.533706D+00     -0.790871D-01     -0.879962D-01
   yy         0.101148D+03      0.149886D+02      0.166770D+02
   zx         0.422352D+00      0.625861D-01      0.696364D-01
   zy         0.265997D+01      0.394167D+00      0.438570D+00
   zz         0.709135D+02      0.105083D+02      0.116920D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.108208D+03      0.160347D+02      0.178411D+02
   aniso      0.499611D+02      0.740346D+01      0.823747D+01
   xx         0.136523D+03      0.202307D+02      0.225097D+02
   yx        -0.221655D+00     -0.328458D-01     -0.365459D-01
   yy         0.108988D+03      0.161503D+02      0.179696D+02
   zx         0.890102D+00      0.131900D+00      0.146758D+00
   zy         0.259631D+01      0.384733D+00      0.428073D+00
   zz         0.791126D+02      0.117233D+02      0.130439D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          1.65449704         -2.97307924          2.90914220
     6          1.34761485         -2.39847818          0.36234366
     6          0.17708052         -0.16648001         -0.39438172
     6         -0.68420525          1.48842862          1.46956773
     6         -0.38526242          0.92692898          4.01368158
     6          0.78751187         -1.31047979          4.74431314
     6         -0.16572984          0.42570219         -3.18565930
     7          0.83987739          2.88108287         -3.98797758
     6         -2.93996066          0.25136088         -3.96403369
     1          2.63133418          3.11106598         -3.34898154
     1          0.88121588         -1.00928186         -4.24276135
     1         -3.71483254         -1.60132798         -3.50444705
     1         -3.12991415          0.58103997         -5.98901162
     1         -4.06529182          1.66701872         -2.96561715
     1         -1.59500067          3.24169522          0.93110753
     1         -1.06735647          2.23461291          5.43188537
     1          1.02573192         -1.74753345          6.72804857
     1          2.57595635         -4.71597170          3.45629751
     1          2.03153597         -3.70193384         -1.06243110
     1         -0.20178215          4.30960981         -3.24808267

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.390801D+00      0.993318D+00      0.331335D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.390801D+00      0.993318D+00      0.331335D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.993223D+02      0.147180D+02      0.163760D+02
   aniso      0.479397D+02      0.710394D+01      0.790420D+01
   xx         0.779180D+02      0.115463D+02      0.128469D+02
   yx        -0.140298D+02     -0.207899D+01     -0.231319D+01
   yy         0.981200D+02      0.145399D+02      0.161778D+02
   zx         0.555704D+01      0.823468D+00      0.916232D+00
   zy        -0.728247D+01     -0.107915D+01     -0.120072D+01
   zz         0.121929D+03      0.180680D+02      0.201034D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.108208D+03      0.160347D+02      0.178411D+02
   aniso      0.499611D+02      0.740346D+01      0.823747D+01
   xx         0.859245D+02      0.127327D+02      0.141670D+02
   yx        -0.138548D+02     -0.205307D+01     -0.228435D+01
   yy         0.106282D+03      0.157494D+02      0.175235D+02
   zx         0.562402D+01      0.833394D+00      0.927276D+00
   zy        -0.807971D+01     -0.119729D+01     -0.133216D+01
   zz         0.132417D+03      0.196222D+02      0.218326D+02

 ----------------------------------------------------------------------
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 YOU WILL NEVER "FIND" TIME FOR ANYTHING.
 IF YOU WANT TIME, YOU MUST MAKE IT.

                        -- CHARLES BIXTON
 Job cpu time:       0 days  4 hours 57 minutes 55.8 seconds.
 Elapsed time:       0 days  0 hours 37 minutes 20.9 seconds.
 File lengths (MBytes):  RWF=    259 Int=      0 D2E=      0 Chk=     10 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 21:42:06 2021.
